(2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol

C15H30N2O — CID 79544884

IUPAC(2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol
SMILESCC(C)[C@@H](CO)NC1CCCC1C1CCCCN1
InChIInChI=1S/C15H30N2O/c1-11(2)15(10-18)17-14-8-5-6-12(14)13-7-3-4-9-16-13/h11-18H,3-10H2,1-2H3/t12?,13?,14?,15-/m1/s1
InChIKeyXAHMBHINLZQSGM-MLGYPOCJSA-N
MW254.42 g/mol
LogP1.90
Rot. Bonds5

About (2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol

(2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol (PubChem CID 79544884) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol
PubChem CID79544884
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name(2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol
SMILESCC(C)[C@@H](CO)NC1CCCC1C1CCCCN1
InChIInChI=1S/C15H30N2O/c1-11(2)15(10-18)17-14-8-5-6-12(14)13-7-3-4-9-16-13/h11-18H,3-10H2,1-2H3/t12?,13?,14?,15-/m1/s1
InChIKeyXAHMBHINLZQSGM-MLGYPOCJSA-N
XLogP1.90
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol with MolForge

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Related Compounds

2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol
CID 79545851
3-[(2-piperidin-2-ylcyclopentyl)amino]pentan-1-ol
CID 113495583
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
N-(2-methylpropyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79544832
2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol
CID 79549663
N-(4-methylpent-1-yn-3-yl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 114202020
4-methoxy-2-[(2-pyrrolidin-2-ylcyclopentyl)amino]butan-1-ol
CID 114210348
4-methyl-2-[(2-piperidin-2-ylcyclohexyl)amino]pentanoic acid
CID 79541389
2-piperidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine
CID 79540645
N-hexan-3-yl-2-piperidin-2-ylcyclohexan-1-amine
CID 79553740
N-[1-(3-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79538155

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol (CID 79544884) is (2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol is CC(C)[C@@H](CO)NC1CCCC1C1CCCCN1.
What is the InChIKey of (2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol?
The InChIKey is XAHMBHINLZQSGM-MLGYPOCJSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11(2)15(10-18)17-14-8-5-6-12(14)13-7-3-4-9-16-13/h11-18H,3-10H2,1-2H3/t12?,13?,14?,15-/m1/s1.
What are the key properties of (2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol?
(2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol is sourced from PubChem (CID 79544884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).