4-ethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid

C18H33NO2 — CID 65066159

IUPAC4-ethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C2CC(C)CCC2C(C)C)CC1
InChIInChI=1S/C18H33NO2/c1-5-18(17(20)21)8-10-19(11-9-18)16-12-14(4)6-7-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,20,21)
InChIKeyYBPBECJWZIVPNN-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.02
Rot. Bonds4

About 4-ethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid

4-ethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid (PubChem CID 65066159) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-ethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid
PubChem CID65066159
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name4-ethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C2CC(C)CCC2C(C)C)CC1
InChIInChI=1S/C18H33NO2/c1-5-18(17(20)21)8-10-19(11-9-18)16-12-14(4)6-7-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,20,21)
InChIKeyYBPBECJWZIVPNN-UHFFFAOYSA-N
XLogP4.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylcyclohexyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 65064235
2-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-2-carboxylic acid
CID 104599223
1-cyclopentyl-4-ethylpiperidine-4-carboxylic acid
CID 63126612
1-(3-methylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068943
3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperazine
CID 63863678
4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid
CID 63126221
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid
CID 65065214
4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid
CID 65076489
N-(cyclopropylmethyl)-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-amine
CID 115306971
1-(3-propan-2-ylcyclohexyl)-4-propylpiperidine-4-carboxylic acid
CID 107450485
2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid
CID 63161385
N-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)pyrrolidin-3-amine
CID 115300000

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid (CID 65066159) is 4-ethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C2CC(C)CCC2C(C)C)CC1.
What is the InChIKey of 4-ethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid?
The InChIKey is YBPBECJWZIVPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-5-18(17(20)21)8-10-19(11-9-18)16-12-14(4)6-7-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,20,21).
What are the key properties of 4-ethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid?
4-ethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid has a molecular weight of 295.47 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 65066159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).