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Chemical ID: 4267739
Chemical ID:
4267739
Name [?]:
3-(2-hydroxyphenyl)-1,3-bis(1-piperidyl)propan-1-one
SMILES [?]:
c1ccc(c(c1)C(CC(=O)N2CCCCC2)N3CCCCC3)O
InChi [?]:
InChI=1/C19H28N2O2/c22-18-10-4-3-9-16(18)17(20-11-5-1-6-12-20)15-19(23)21-13-7-2-8-14-21/h3-4,9-10,17,22H,1-2,5-8,11-15H2
InChi Info:
AuxInfo=1/0/N:20,14,1,2,19,21,13,15,6,3,18,22,12,16,8,5,7,4,9,17,11,23,10/E:(5,6)(7,8)(11,12)(13,14)/rA:23cCCCCCCCCCONCCCCCNCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s7;s17;s18;s19;s20;s17s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H28N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.43982 |
Area: | 503.47 |
Solvation: | -3.14694 |
Coulombic: | -37.2095 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 316.438 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.67 |
LogP (Chemaxon): | 2.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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