4-methyl-2-[(2-piperidin-2-ylcyclohexyl)amino]pentanoic acid

C17H32N2O2 — CID 79541389

IUPAC4-methyl-2-[(2-piperidin-2-ylcyclohexyl)amino]pentanoic acid
SMILESCC(C)CC(NC1CCCCC1C1CCCCN1)C(=O)O
InChIInChI=1S/C17H32N2O2/c1-12(2)11-16(17(20)21)19-15-9-4-3-7-13(15)14-8-5-6-10-18-14/h12-16,18-19H,3-11H2,1-2H3,(H,20,21)
InChIKeyKVCNZXPSTJWITI-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.78
Rot. Bonds6

About 4-methyl-2-[(2-piperidin-2-ylcyclohexyl)amino]pentanoic acid

4-methyl-2-[(2-piperidin-2-ylcyclohexyl)amino]pentanoic acid (PubChem CID 79541389) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 4-methyl-2-[(2-piperidin-2-ylcyclohexyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(2-piperidin-2-ylcyclohexyl)amino]pentanoic acid
PubChem CID79541389
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name4-methyl-2-[(2-piperidin-2-ylcyclohexyl)amino]pentanoic acid
SMILESCC(C)CC(NC1CCCCC1C1CCCCN1)C(=O)O
InChIInChI=1S/C17H32N2O2/c1-12(2)11-16(17(20)21)19-15-9-4-3-7-13(15)14-8-5-6-10-18-14/h12-16,18-19H,3-11H2,1-2H3,(H,20,21)
InChIKeyKVCNZXPSTJWITI-UHFFFAOYSA-N
XLogP2.78
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-2-[(2-piperidin-2-ylcyclohexyl)amino]propanamide
CID 103107021
N-(2-methylpropyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79544832
(2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol
CID 79544884
(2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid
CID 61160577
N-[(1R)-1-cyclohexylethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 81384136
1-N,1-N-dimethyl-2-N-(2-piperidin-2-ylcyclopentyl)propane-1,2-diamine
CID 82939086
2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol
CID 79545851
2-piperidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine
CID 79540645
2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol
CID 79549663
N-hexan-3-yl-2-piperidin-2-ylcyclohexan-1-amine
CID 79553740
3-[(2-piperidin-2-ylcyclopentyl)amino]pentan-1-ol
CID 113495583
1-methoxy-3-[(2-piperidin-2-ylcyclopentyl)amino]propan-2-ol
CID 79544808

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-piperidin-2-ylcyclohexyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(2-piperidin-2-ylcyclohexyl)amino]pentanoic acid (CID 79541389) is 4-methyl-2-[(2-piperidin-2-ylcyclohexyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(2-piperidin-2-ylcyclohexyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(2-piperidin-2-ylcyclohexyl)amino]pentanoic acid is CC(C)CC(NC1CCCCC1C1CCCCN1)C(=O)O.
What is the InChIKey of 4-methyl-2-[(2-piperidin-2-ylcyclohexyl)amino]pentanoic acid?
The InChIKey is KVCNZXPSTJWITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-12(2)11-16(17(20)21)19-15-9-4-3-7-13(15)14-8-5-6-10-18-14/h12-16,18-19H,3-11H2,1-2H3,(H,20,21).
What are the key properties of 4-methyl-2-[(2-piperidin-2-ylcyclohexyl)amino]pentanoic acid?
4-methyl-2-[(2-piperidin-2-ylcyclohexyl)amino]pentanoic acid has a molecular weight of 296.45 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-piperidin-2-ylcyclohexyl)amino]pentanoic acid is sourced from PubChem (CID 79541389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).