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

C14H25N3O — CID 107226186

IUPAC(3S)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol
SMILESCCC(CC)n1ccc(CN2CCC[C@H](O)C2)n1
InChIInChI=1S/C14H25N3O/c1-3-13(4-2)17-9-7-12(15-17)10-16-8-5-6-14(18)11-16/h7,9,13-14,18H,3-6,8,10-11H2,1-2H3/t14-/m0/s1
InChIKeyAHZIOGGWAOEGKW-AWEZNQCLSA-N
MW251.37 g/mol
LogP2.20
Rot. Bonds5

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

(3S)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol (PubChem CID 107226186) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (3S)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol
PubChem CID107226186
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(3S)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol
SMILESCCC(CC)n1ccc(CN2CCC[C@H](O)C2)n1
InChIInChI=1S/C14H25N3O/c1-3-13(4-2)17-9-7-12(15-17)10-16-8-5-6-14(18)11-16/h7,9,13-14,18H,3-6,8,10-11H2,1-2H3/t14-/m0/s1
InChIKeyAHZIOGGWAOEGKW-AWEZNQCLSA-N
XLogP2.20
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol (CID 107226186) is (3S)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol is CCC(CC)n1ccc(CN2CCC[C@H](O)C2)n1.
What is the InChIKey of (3S)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol?
The InChIKey is AHZIOGGWAOEGKW-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-13(4-2)17-9-7-12(15-17)10-16-8-5-6-14(18)11-16/h7,9,13-14,18H,3-6,8,10-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol?
(3S)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol has a molecular weight of 251.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 107226186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).