(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C15H21F2N3O — CID 110271226

IUPAC(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C15H21F2N3O/c16-15(17)6-3-11(4-7-15)14(21)20-9-1-2-12(10-20)13-5-8-18-19-13/h5,8,11-12H,1-4,6-7,9-10H2,(H,18,19)
InChIKeyYQMHWMWIVOWHIV-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.94
Rot. Bonds2

About (4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 110271226) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID110271226
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C15H21F2N3O/c16-15(17)6-3-11(4-7-15)14(21)20-9-1-2-12(10-20)13-5-8-18-19-13/h5,8,11-12H,1-4,6-7,9-10H2,(H,18,19)
InChIKeyYQMHWMWIVOWHIV-UHFFFAOYSA-N
XLogP2.94
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 110271226) is (4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is O=C(C1CCC(F)(F)CC1)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of (4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is YQMHWMWIVOWHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c16-15(17)6-3-11(4-7-15)14(21)20-9-1-2-12(10-20)13-5-8-18-19-13/h5,8,11-12H,1-4,6-7,9-10H2,(H,18,19).
What are the key properties of (4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 297.35 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110271226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).