2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]ethanol

C16H27N3O — CID 64779852

IUPAC2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(Cc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C16H27N3O/c20-11-8-14-4-3-9-18(12-14)13-15-7-10-19(17-15)16-5-1-2-6-16/h7,10,14,16,20H,1-6,8-9,11-13H2
InChIKeyQSZWZPBDTWAVOW-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.59
Rot. Bonds5

About 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]ethanol

2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]ethanol (PubChem CID 64779852) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]ethanol
PubChem CID64779852
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(Cc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C16H27N3O/c20-11-8-14-4-3-9-18(12-14)13-15-7-10-19(17-15)16-5-1-2-6-16/h7,10,14,16,20H,1-6,8-9,11-13H2
InChIKeyQSZWZPBDTWAVOW-UHFFFAOYSA-N
XLogP2.59
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]ethanol (CID 64779852) is 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]ethanol is OCCC1CCCN(Cc2ccn(C3CCCC3)n2)C1.
What is the InChIKey of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]ethanol?
The InChIKey is QSZWZPBDTWAVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c20-11-8-14-4-3-9-18(12-14)13-15-7-10-19(17-15)16-5-1-2-6-16/h7,10,14,16,20H,1-6,8-9,11-13H2.
What are the key properties of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]ethanol?
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]ethanol has a molecular weight of 277.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 64779852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).