3-(1H-pyrazol-4-yl)piperidin-3-ol

C8H13N3O — CID 139343414

IUPAC3-(1H-pyrazol-4-yl)piperidin-3-ol
SMILESOC1(c2cn[nH]c2)CCCNC1
InChIInChI=1S/C8H13N3O/c12-8(2-1-3-9-6-8)7-4-10-11-5-7/h4-5,9,12H,1-3,6H2,(H,10,11)
InChIKeyRLSJZWROECVDLB-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.02
Rot. Bonds1

About 3-(1H-pyrazol-4-yl)piperidin-3-ol

3-(1H-pyrazol-4-yl)piperidin-3-ol (PubChem CID 139343414) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)piperidin-3-ol
PubChem CID139343414
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-(1H-pyrazol-4-yl)piperidin-3-ol
SMILESOC1(c2cn[nH]c2)CCCNC1
InChIInChI=1S/C8H13N3O/c12-8(2-1-3-9-6-8)7-4-10-11-5-7/h4-5,9,12H,1-3,6H2,(H,10,11)
InChIKeyRLSJZWROECVDLB-UHFFFAOYSA-N
XLogP-0.02
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)piperidin-3-ol?
The IUPAC name of 3-(1H-pyrazol-4-yl)piperidin-3-ol (CID 139343414) is 3-(1H-pyrazol-4-yl)piperidin-3-ol.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)piperidin-3-ol?
The canonical SMILES for 3-(1H-pyrazol-4-yl)piperidin-3-ol is OC1(c2cn[nH]c2)CCCNC1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)piperidin-3-ol?
The InChIKey is RLSJZWROECVDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c12-8(2-1-3-9-6-8)7-4-10-11-5-7/h4-5,9,12H,1-3,6H2,(H,10,11).
What are the key properties of 3-(1H-pyrazol-4-yl)piperidin-3-ol?
3-(1H-pyrazol-4-yl)piperidin-3-ol has a molecular weight of 167.21 g/mol, XLogP of -0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 139343414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).