(3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol

C13H23N3O — CID 107225978

IUPAC(3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol
SMILESCCC(C)n1ccc(CN2CCC[C@H](O)C2)n1
InChIInChI=1S/C13H23N3O/c1-3-11(2)16-8-6-12(14-16)9-15-7-4-5-13(17)10-15/h6,8,11,13,17H,3-5,7,9-10H2,1-2H3/t11?,13-/m0/s1
InChIKeyAXCYXUAHQORQHM-YUZLPWPTSA-N
MW237.35 g/mol
LogP1.81
Rot. Bonds4

About (3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol

(3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol (PubChem CID 107225978) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol
PubChem CID107225978
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol
SMILESCCC(C)n1ccc(CN2CCC[C@H](O)C2)n1
InChIInChI=1S/C13H23N3O/c1-3-11(2)16-8-6-12(14-16)9-15-7-4-5-13(17)10-15/h6,8,11,13,17H,3-5,7,9-10H2,1-2H3/t11?,13-/m0/s1
InChIKeyAXCYXUAHQORQHM-YUZLPWPTSA-N
XLogP1.81
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Methyl-1H-pyrazol-1-yl)ethan-1-ol
CID 19621865
1-[1-[(1,5-Dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 53193291
{(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]hexahydro-4-pyridinyl}methanol
CID 91920881
(4S*)-1-[(1-ethyl-1H-pyrazol-3-yl)methyl]-3,3,4-trimethylpiperidin-4-ol
CID 70780698
4-{ethyl[(1-ethyl-1H-pyrazol-3-yl)methyl]amino}tetrahydrofuran-3-ol
CID 91833531
4-[(1-ethyl-1H-pyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine
CID 91843740
(4R)-6,6-dimethyl-1-[2-(5-methylpyrazol-1-yl)ethyl]azepan-4-ol
CID 164632139
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine
CID 164639531
1-[Di(propan-2-yl)amino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 22958930
1-[Methyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]amino]propan-2-ol
CID 118149676
1-(3-Fluorooxetan-3-yl)-4-(3-methylpyrazol-1-yl)piperidine
CID 141336746
4,4,4-Trifluoro-1-(3-methylpyrazol-1-yl)butan-2-ol
CID 156062663

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol (CID 107225978) is (3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol is CCC(C)n1ccc(CN2CCC[C@H](O)C2)n1.
What is the InChIKey of (3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol?
The InChIKey is AXCYXUAHQORQHM-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-11(2)16-8-6-12(14-16)9-15-7-4-5-13(17)10-15/h6,8,11,13,17H,3-5,7,9-10H2,1-2H3/t11?,13-/m0/s1.
What are the key properties of (3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol?
(3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol has a molecular weight of 237.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 107225978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).