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

C17H31NO2 — CID 65062636

IUPAC3-[1-(4-propylcyclohexyl)piperidin-4-yl]propanoic acid
SMILESCCCC1CCC(N2CCC(CCC(=O)O)CC2)CC1
InChIInChI=1S/C17H31NO2/c1-2-3-14-4-7-16(8-5-14)18-12-10-15(11-13-18)6-9-17(19)20/h14-16H,2-13H2,1H3,(H,19,20)
InChIKeyQUPQHXOPEOXLFL-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.92
Rot. Bonds6

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

3-[1-(4-propylcyclohexyl)piperidin-4-yl]propanoic acid (PubChem CID 65062636) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-[1-(4-propylcyclohexyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-propylcyclohexyl)piperidin-4-yl]propanoic acid
PubChem CID65062636
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name3-[1-(4-propylcyclohexyl)piperidin-4-yl]propanoic acid
SMILESCCCC1CCC(N2CCC(CCC(=O)O)CC2)CC1
InChIInChI=1S/C17H31NO2/c1-2-3-14-4-7-16(8-5-14)18-12-10-15(11-13-18)6-9-17(19)20/h14-16H,2-13H2,1H3,(H,19,20)
InChIKeyQUPQHXOPEOXLFL-UHFFFAOYSA-N
XLogP3.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-propylcyclohexyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(4-propylcyclohexyl)piperidin-4-yl]propanoic acid (CID 65062636) is 3-[1-(4-propylcyclohexyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-propylcyclohexyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-propylcyclohexyl)piperidin-4-yl]propanoic acid is CCCC1CCC(N2CCC(CCC(=O)O)CC2)CC1.
What is the InChIKey of 3-[1-(4-propylcyclohexyl)piperidin-4-yl]propanoic acid?
The InChIKey is QUPQHXOPEOXLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-2-3-14-4-7-16(8-5-14)18-12-10-15(11-13-18)6-9-17(19)20/h14-16H,2-13H2,1H3,(H,19,20).
What are the key properties of 3-[1-(4-propylcyclohexyl)piperidin-4-yl]propanoic acid?
3-[1-(4-propylcyclohexyl)piperidin-4-yl]propanoic acid has a molecular weight of 281.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-propylcyclohexyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 65062636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).