Chemical ID: 4253641

CC(C)(C)OC(=O)N1CCCC(C1)(Cc2ccccc2)C(=O)O
Chemical ID:
4253641
Name [?]:
3-benzyl-1-tert-butoxycarbonyl-piperidine-3-carboxylic acid
SMILES [?]:
CC(C)(C)OC(=O)N1CCCC(C1)(Cc2ccccc2)C(=O)O
InChi [?]:
InChI=1/C18H25NO4/c1-17(2,3)23-16(22)19-11-7-10-18(13-19,15(20)21)12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,4,18,17,19,10,16,20,11,9,14,13,15,21,6,2,12,8,22,23,7,5/E:(1,2,3)(5,6)(8,9)(20,21)/rA:23cCCCCOCONCCCCCCCCCCCCCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s12;s14;s15;d16;s17;d18;d15s19;s12;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H25NO4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.1703
Area:509.606
Solvation:-2.56985
Coulombic:-57.8655
Bond Count [?]
All:24
Single:19
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:319.395
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.88
LogP (Chemaxon):3.39

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