1-(4-ethylcyclohexyl)-4-propylpiperidine-4-carboxylic acid

C17H31NO2 — CID 64747380

IUPAC1-(4-ethylcyclohexyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C2CCC(CC)CC2)CC1
InChIInChI=1S/C17H31NO2/c1-3-9-17(16(19)20)10-12-18(13-11-17)15-7-5-14(4-2)6-8-15/h14-15H,3-13H2,1-2H3,(H,19,20)
InChIKeyWSPOIAMZDCERPI-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.92
Rot. Bonds5

About 1-(4-ethylcyclohexyl)-4-propylpiperidine-4-carboxylic acid

1-(4-ethylcyclohexyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 64747380) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID64747380
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name1-(4-ethylcyclohexyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C2CCC(CC)CC2)CC1
InChIInChI=1S/C17H31NO2/c1-3-9-17(16(19)20)10-12-18(13-11-17)15-7-5-14(4-2)6-8-15/h14-15H,3-13H2,1-2H3,(H,19,20)
InChIKeyWSPOIAMZDCERPI-UHFFFAOYSA-N
XLogP3.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 1-(4-ethylcyclohexyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-ethylcyclohexyl)-4-propylpiperidine-4-carboxylic acid (CID 64747380) is 1-(4-ethylcyclohexyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-ethylcyclohexyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C2CCC(CC)CC2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is WSPOIAMZDCERPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-3-9-17(16(19)20)10-12-18(13-11-17)15-7-5-14(4-2)6-8-15/h14-15H,3-13H2,1-2H3,(H,19,20).
What are the key properties of 1-(4-ethylcyclohexyl)-4-propylpiperidine-4-carboxylic acid?
1-(4-ethylcyclohexyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 281.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 64747380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).