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

C12H21N3O — CID 107226041

IUPAC(3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol
SMILESCC(C)n1ccc(CN2CCC[C@H](O)C2)n1
InChIInChI=1S/C12H21N3O/c1-10(2)15-7-5-11(13-15)8-14-6-3-4-12(16)9-14/h5,7,10,12,16H,3-4,6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyNIGYNRNWACNGFL-LBPRGKRZSA-N
MW223.32 g/mol
LogP1.42
Rot. Bonds3

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

(3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol (PubChem CID 107226041) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol
PubChem CID107226041
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol
SMILESCC(C)n1ccc(CN2CCC[C@H](O)C2)n1
InChIInChI=1S/C12H21N3O/c1-10(2)15-7-5-11(13-15)8-14-6-3-4-12(16)9-14/h5,7,10,12,16H,3-4,6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyNIGYNRNWACNGFL-LBPRGKRZSA-N
XLogP1.42
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol (CID 107226041) is (3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol is CC(C)n1ccc(CN2CCC[C@H](O)C2)n1.
What is the InChIKey of (3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol?
The InChIKey is NIGYNRNWACNGFL-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)15-7-5-11(13-15)8-14-6-3-4-12(16)9-14/h5,7,10,12,16H,3-4,6,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol?
(3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol has a molecular weight of 223.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 107226041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).