1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid

C18H33NO2 — CID 65069083

IUPAC1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C2CCC(C(C)C)CC2)C1
InChIInChI=1S/C18H33NO2/c1-4-10-18(17(20)21)11-5-12-19(13-18)16-8-6-15(7-9-16)14(2)3/h14-16H,4-13H2,1-3H3,(H,20,21)
InChIKeyHIPVLTWNHXQYTQ-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.17
Rot. Bonds5

About 1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid

1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 65069083) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID65069083
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C2CCC(C(C)C)CC2)C1
InChIInChI=1S/C18H33NO2/c1-4-10-18(17(20)21)11-5-12-19(13-18)16-8-6-15(7-9-16)14(2)3/h14-16H,4-13H2,1-3H3,(H,20,21)
InChIKeyHIPVLTWNHXQYTQ-UHFFFAOYSA-N
XLogP4.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid (CID 65069083) is 1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C2CCC(C(C)C)CC2)C1.
What is the InChIKey of 1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is HIPVLTWNHXQYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-4-10-18(17(20)21)11-5-12-19(13-18)16-8-6-15(7-9-16)14(2)3/h14-16H,4-13H2,1-3H3,(H,20,21).
What are the key properties of 1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid?
1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 295.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 65069083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).