1-piperidin-1-yl-4-propylcyclohexane-1-carboxylic acid

C15H27NO2 — CID 60917266

IUPAC1-piperidin-1-yl-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)(N2CCCCC2)CC1
InChIInChI=1S/C15H27NO2/c1-2-6-13-7-9-15(10-8-13,14(17)18)16-11-4-3-5-12-16/h13H,2-12H2,1H3,(H,17,18)
InChIKeyPZCGJFSASHEVKF-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.29
Rot. Bonds4

About 1-piperidin-1-yl-4-propylcyclohexane-1-carboxylic acid

1-piperidin-1-yl-4-propylcyclohexane-1-carboxylic acid (PubChem CID 60917266) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-piperidin-1-yl-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-piperidin-1-yl-4-propylcyclohexane-1-carboxylic acid
PubChem CID60917266
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-piperidin-1-yl-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)(N2CCCCC2)CC1
InChIInChI=1S/C15H27NO2/c1-2-6-13-7-9-15(10-8-13,14(17)18)16-11-4-3-5-12-16/h13H,2-12H2,1H3,(H,17,18)
InChIKeyPZCGJFSASHEVKF-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-piperidin-1-yl-4-propylcyclohexane-1-carboxylic acid (CID 60917266) is 1-piperidin-1-yl-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-piperidin-1-yl-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-piperidin-1-yl-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(C(=O)O)(N2CCCCC2)CC1.
What is the InChIKey of 1-piperidin-1-yl-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is PZCGJFSASHEVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-6-13-7-9-15(10-8-13,14(17)18)16-11-4-3-5-12-16/h13H,2-12H2,1H3,(H,17,18).
What are the key properties of 1-piperidin-1-yl-4-propylcyclohexane-1-carboxylic acid?
1-piperidin-1-yl-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 60917266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).