3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid

C16H29NO2 — CID 64730669

IUPAC3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid
SMILESCC1CC(C)CC(N2CCCCC2CCC(=O)O)C1
InChIInChI=1S/C16H29NO2/c1-12-9-13(2)11-15(10-12)17-8-4-3-5-14(17)6-7-16(18)19/h12-15H,3-11H2,1-2H3,(H,18,19)
InChIKeyBGYRUUHPQTXZBJ-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.53
Rot. Bonds4

About 3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid

3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid (PubChem CID 64730669) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid
PubChem CID64730669
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid
SMILESCC1CC(C)CC(N2CCCCC2CCC(=O)O)C1
InChIInChI=1S/C16H29NO2/c1-12-9-13(2)11-15(10-12)17-8-4-3-5-14(17)6-7-16(18)19/h12-15H,3-11H2,1-2H3,(H,18,19)
InChIKeyBGYRUUHPQTXZBJ-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-cycloheptylpiperidin-2-yl)propanoic acid
CID 65062233
3-[1-[3-(2-methylpropyl)cyclohexyl]piperidin-2-yl]propanoic acid
CID 107430428
1-(3,5-dimethylcyclohexyl)piperidine-2-carboxylic acid
CID 64731455
1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propan-2-ol
CID 114337931
3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid
CID 79894201
N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]ethanamine
CID 64730948
N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]propan-2-amine
CID 64731145
3-[1-(1,1-dioxothiolan-3-yl)pyrrolidin-2-yl]propanoic acid
CID 117028648
3-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propanoic acid
CID 134339511
1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid
CID 103565045
3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid
CID 106739919
3-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]propanoic acid
CID 84755515

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid (CID 64730669) is 3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid is CC1CC(C)CC(N2CCCCC2CCC(=O)O)C1.
What is the InChIKey of 3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid?
The InChIKey is BGYRUUHPQTXZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-12-9-13(2)11-15(10-12)17-8-4-3-5-14(17)6-7-16(18)19/h12-15H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid?
3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid has a molecular weight of 267.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 64730669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).