1-(4-benzylpiperidin-1-yl)-3-pyrazol-1-ylpropan-2-ol

C18H25N3O — CID 47053104

IUPAC1-(4-benzylpiperidin-1-yl)-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CN1CCC(Cc2ccccc2)CC1)Cn1cccn1
InChIInChI=1S/C18H25N3O/c22-18(15-21-10-4-9-19-21)14-20-11-7-17(8-12-20)13-16-5-2-1-3-6-16/h1-6,9-10,17-18,22H,7-8,11-15H2
InChIKeyBVTNZSGWYKQTPS-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.20
Rot. Bonds6

About 1-(4-benzylpiperidin-1-yl)-3-pyrazol-1-ylpropan-2-ol

1-(4-benzylpiperidin-1-yl)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 47053104) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-3-pyrazol-1-ylpropan-2-ol
PubChem CID47053104
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-(4-benzylpiperidin-1-yl)-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CN1CCC(Cc2ccccc2)CC1)Cn1cccn1
InChIInChI=1S/C18H25N3O/c22-18(15-21-10-4-9-19-21)14-20-11-7-17(8-12-20)13-16-5-2-1-3-6-16/h1-6,9-10,17-18,22H,7-8,11-15H2
InChIKeyBVTNZSGWYKQTPS-UHFFFAOYSA-N
XLogP2.20
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 60500592
(2R)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 94393943
1-[2-[(3S)-3-benzylpyrrolidin-1-yl]ethyl]pyrazole
CID 124607305
(2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 780314
(2R)-1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 40786891
(2R)-1-[4-(1H-indol-3-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 125145329
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol
CID 94177110
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol
CID 47053109
3-(4-benzylpiperidin-1-yl)-2-methylpropanoic acid
CID 43538761
1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride
CID 53313606
(2R)-1-(1-adamantyloxy)-3-(4-benzylpiperidin-1-yl)propan-2-ol
CID 41493464
1-(4-benzylpiperidin-1-yl)-3-(4-bromophenyl)sulfanylpropan-2-ol;hydrochloride
CID 19817115

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-pyrazol-1-ylpropan-2-ol (CID 47053104) is 1-(4-benzylpiperidin-1-yl)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-3-pyrazol-1-ylpropan-2-ol is OC(CN1CCC(Cc2ccccc2)CC1)Cn1cccn1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is BVTNZSGWYKQTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c22-18(15-21-10-4-9-19-21)14-20-11-7-17(8-12-20)13-16-5-2-1-3-6-16/h1-6,9-10,17-18,22H,7-8,11-15H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-3-pyrazol-1-ylpropan-2-ol?
1-(4-benzylpiperidin-1-yl)-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 299.42 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 47053104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).