(2R)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol

C18H25N3O2 — CID 94393943

IUPAC(2R)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESO[C@H](CN1CCC([C@@H](O)c2ccccc2)CC1)Cn1cccn1
InChIInChI=1S/C18H25N3O2/c22-17(14-21-10-4-9-19-21)13-20-11-7-16(8-12-20)18(23)15-5-2-1-3-6-15/h1-6,9-10,16-18,22-23H,7-8,11-14H2/t17-,18+/m1/s1
InChIKeyCGCPYOPJRUHITB-MSOLQXFVSA-N
MW315.42 g/mol
LogP1.69
Rot. Bonds6

About (2R)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol

(2R)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 94393943) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2R)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
PubChem CID94393943
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(2R)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESO[C@H](CN1CCC([C@@H](O)c2ccccc2)CC1)Cn1cccn1
InChIInChI=1S/C18H25N3O2/c22-17(14-21-10-4-9-19-21)13-20-11-7-16(8-12-20)18(23)15-5-2-1-3-6-15/h1-6,9-10,16-18,22-23H,7-8,11-14H2/t17-,18+/m1/s1
InChIKeyCGCPYOPJRUHITB-MSOLQXFVSA-N
XLogP1.69
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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(1R)-1-phenyl-2-pyrazol-1-ylethanol
CID 712326
(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
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1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol
CID 47053109
phenyl-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanol
CID 110906747
1-phenyl-2-(4-pyrazol-1-ylpiperidin-1-yl)ethanol
CID 111110310
phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol
CID 110884402
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 63867828
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
CID 119134519

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol (CID 94393943) is (2R)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol is O[C@H](CN1CCC([C@@H](O)c2ccccc2)CC1)Cn1cccn1.
What is the InChIKey of (2R)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is CGCPYOPJRUHITB-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17(14-21-10-4-9-19-21)13-20-11-7-16(8-12-20)18(23)15-5-2-1-3-6-15/h1-6,9-10,16-18,22-23H,7-8,11-14H2/t17-,18+/m1/s1.
What are the key properties of (2R)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
(2R)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 315.42 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 94393943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).