3-[1-(4-ethylcyclohexyl)piperidin-3-yl]propanoic acid

C16H29NO2 — CID 64749138

IUPAC3-[1-(4-ethylcyclohexyl)piperidin-3-yl]propanoic acid
SMILESCCC1CCC(N2CCCC(CCC(=O)O)C2)CC1
InChIInChI=1S/C16H29NO2/c1-2-13-5-8-15(9-6-13)17-11-3-4-14(12-17)7-10-16(18)19/h13-15H,2-12H2,1H3,(H,18,19)
InChIKeyCOIRZWOHZPWFGV-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.53
Rot. Bonds5

About 3-[1-(4-ethylcyclohexyl)piperidin-3-yl]propanoic acid

3-[1-(4-ethylcyclohexyl)piperidin-3-yl]propanoic acid (PubChem CID 64749138) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 3-[1-(4-ethylcyclohexyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-ethylcyclohexyl)piperidin-3-yl]propanoic acid
PubChem CID64749138
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name3-[1-(4-ethylcyclohexyl)piperidin-3-yl]propanoic acid
SMILESCCC1CCC(N2CCCC(CCC(=O)O)C2)CC1
InChIInChI=1S/C16H29NO2/c1-2-13-5-8-15(9-6-13)17-11-3-4-14(12-17)7-10-16(18)19/h13-15H,2-12H2,1H3,(H,18,19)
InChIKeyCOIRZWOHZPWFGV-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-cyclooctylpiperidin-3-yl)propanoic acid
CID 65071973
3-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]propanoic acid
CID 64740198
[(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol
CID 40506920
1-cyclopropyl-3-ethylpiperidine
CID 76560892
3-[1-(5-methylthiolan-3-yl)piperidin-3-yl]propanoic acid
CID 79949355
3-[1-(4-propylcyclohexyl)piperidin-4-yl]propanoic acid
CID 65062636
ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate
CID 64775486
3-[1-[3-(2-methylpropyl)cyclohexyl]pyrrolidin-3-yl]propanoic acid
CID 107430477
2-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-3-yl]acetic acid
CID 65059993
2-(1-cycloheptylpiperidin-3-yl)acetic acid
CID 65060458
2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid
CID 106814208
3-[(3S)-1-[(2R)-2-ethoxypropanoyl]piperidin-3-yl]propanoic acid
CID 124683470

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethylcyclohexyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(4-ethylcyclohexyl)piperidin-3-yl]propanoic acid (CID 64749138) is 3-[1-(4-ethylcyclohexyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-ethylcyclohexyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-ethylcyclohexyl)piperidin-3-yl]propanoic acid is CCC1CCC(N2CCCC(CCC(=O)O)C2)CC1.
What is the InChIKey of 3-[1-(4-ethylcyclohexyl)piperidin-3-yl]propanoic acid?
The InChIKey is COIRZWOHZPWFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-13-5-8-15(9-6-13)17-11-3-4-14(12-17)7-10-16(18)19/h13-15H,2-12H2,1H3,(H,18,19).
What are the key properties of 3-[1-(4-ethylcyclohexyl)piperidin-3-yl]propanoic acid?
3-[1-(4-ethylcyclohexyl)piperidin-3-yl]propanoic acid has a molecular weight of 267.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethylcyclohexyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 64749138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).