1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol

C12H21N3O2 — CID 60500592

IUPAC1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESOCC1CCN(CC(O)Cn2cccn2)CC1
InChIInChI=1S/C12H21N3O2/c16-10-11-2-6-14(7-3-11)8-12(17)9-15-5-1-4-13-15/h1,4-5,11-12,16-17H,2-3,6-10H2
InChIKeyBTTWIBAIBUSAFV-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.05
Rot. Bonds5

About 1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol

1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 60500592) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
PubChem CID60500592
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESOCC1CCN(CC(O)Cn2cccn2)CC1
InChIInChI=1S/C12H21N3O2/c16-10-11-2-6-14(7-3-11)8-12(17)9-15-5-1-4-13-15/h1,4-5,11-12,16-17H,2-3,6-10H2
InChIKeyBTTWIBAIBUSAFV-UHFFFAOYSA-N
XLogP-0.05
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol (CID 60500592) is 1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol is OCC1CCN(CC(O)Cn2cccn2)CC1.
What is the InChIKey of 1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is BTTWIBAIBUSAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c16-10-11-2-6-14(7-3-11)8-12(17)9-15-5-1-4-13-15/h1,4-5,11-12,16-17H,2-3,6-10H2.
What are the key properties of 1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 239.32 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 60500592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).