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Chemical ID: 4253645
Chemical ID:
4253645
Name [?]:
3-[(4-methoxyphenyl)methyl]-1-tert-butoxycarbonyl-piperidine-3-carboxylic acid
SMILES [?]:
CC(C)(C)OC(=O)N1CCCC(C1)(Cc2ccc(cc2)OC)C(=O)O
InChi [?]:
InChI=1/C19H27NO5/c1-18(2,3)25-17(23)20-11-5-10-19(13-20,16(21)22)12-14-6-8-15(24-4)9-7-14/h6-9H,5,10-13H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,22,10,16,20,17,19,11,9,14,13,15,18,23,6,2,12,8,24,25,7,21,5/E:(1,2,3)(6,7)(8,9)(21,22)/rA:25cCCCCOCONCCCCCCCCCCCCOCCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;s12;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H27NO5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.7295 |
Area: | 548.135 |
Solvation: | -3.97388 |
Coulombic: | -64.0507 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 349.421 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.8 |
LogP (Chemaxon): | 3.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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