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

C18H33NO2 — CID 107450485

IUPAC1-(3-propan-2-ylcyclohexyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C2CCCC(C(C)C)C2)CC1
InChIInChI=1S/C18H33NO2/c1-4-8-18(17(20)21)9-11-19(12-10-18)16-7-5-6-15(13-16)14(2)3/h14-16H,4-13H2,1-3H3,(H,20,21)
InChIKeyASEGOQIWZXHGSH-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.17
Rot. Bonds5

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

1-(3-propan-2-ylcyclohexyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 107450485) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-(3-propan-2-ylcyclohexyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-propan-2-ylcyclohexyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID107450485
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name1-(3-propan-2-ylcyclohexyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C2CCCC(C(C)C)C2)CC1
InChIInChI=1S/C18H33NO2/c1-4-8-18(17(20)21)9-11-19(12-10-18)16-7-5-6-15(13-16)14(2)3/h14-16H,4-13H2,1-3H3,(H,20,21)
InChIKeyASEGOQIWZXHGSH-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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Related Compounds

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid
CID 65065214
1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
CID 65069083
1-(4-ethylcyclohexyl)-4-propylpiperidine-4-carboxylic acid
CID 64747380
1-(3-methylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068943
1-(2-ethylcyclopentyl)-4-propylpiperidine-4-carboxylic acid
CID 113483668
1-cyclopentyl-4-ethylpiperidine-4-carboxylic acid
CID 63126612
1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 55165781
1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65069095
1-(oxepan-4-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65080564
1-cycloheptyl-3-propylpiperidine-3-carboxylic acid
CID 65068602
4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid
CID 65076489
1-(2-ethyl-2-methyloxan-4-yl)-4-propylpiperidine-4-carboxylic acid
CID 65064913

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylcyclohexyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-propan-2-ylcyclohexyl)-4-propylpiperidine-4-carboxylic acid (CID 107450485) is 1-(3-propan-2-ylcyclohexyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-propan-2-ylcyclohexyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-propan-2-ylcyclohexyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C2CCCC(C(C)C)C2)CC1.
What is the InChIKey of 1-(3-propan-2-ylcyclohexyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is ASEGOQIWZXHGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-4-8-18(17(20)21)9-11-19(12-10-18)16-7-5-6-15(13-16)14(2)3/h14-16H,4-13H2,1-3H3,(H,20,21).
What are the key properties of 1-(3-propan-2-ylcyclohexyl)-4-propylpiperidine-4-carboxylic acid?
1-(3-propan-2-ylcyclohexyl)-4-propylpiperidine-4-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-(3-propan-2-ylcyclohexyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 107450485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).