2-[1-[5-chloro-3-(difluoromethyl)-2-pyridinyl]piperidin-4-yl]propan-2-ol

C14H19ClF2N2O — CID 68950840

IUPAC2-[1-[5-chloro-3-(difluoromethyl)-2-pyridinyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(c2ncc(Cl)cc2C(F)F)CC1
InChIInChI=1S/C14H19ClF2N2O/c1-14(2,20)9-3-5-19(6-4-9)13-11(12(16)17)7-10(15)8-18-13/h7-9,12,20H,3-6H2,1-2H3
InChIKeyDNXCHQMITKVNDD-UHFFFAOYSA-N
MW304.77 g/mol
LogP3.66
Rot. Bonds3

About 2-[1-[5-chloro-3-(difluoromethyl)-2-pyridinyl]piperidin-4-yl]propan-2-ol

2-[1-[5-chloro-3-(difluoromethyl)-2-pyridinyl]piperidin-4-yl]propan-2-ol (PubChem CID 68950840) has the molecular formula C14H19ClF2N2O and a molecular weight of 304.77 g/mol. Its IUPAC name is 2-[1-[5-chloro-3-(difluoromethyl)-2-pyridinyl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[5-chloro-3-(difluoromethyl)-2-pyridinyl]piperidin-4-yl]propan-2-ol
PubChem CID68950840
Molecular FormulaC14H19ClF2N2O
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC Name2-[1-[5-chloro-3-(difluoromethyl)-2-pyridinyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(c2ncc(Cl)cc2C(F)F)CC1
InChIInChI=1S/C14H19ClF2N2O/c1-14(2,20)9-3-5-19(6-4-9)13-11(12(16)17)7-10(15)8-18-13/h7-9,12,20H,3-6H2,1-2H3
InChIKeyDNXCHQMITKVNDD-UHFFFAOYSA-N
XLogP3.66
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-chloro-3-(difluoromethyl)-2-pyridinyl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[5-chloro-3-(difluoromethyl)-2-pyridinyl]piperidin-4-yl]propan-2-ol (CID 68950840) is 2-[1-[5-chloro-3-(difluoromethyl)-2-pyridinyl]piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[5-chloro-3-(difluoromethyl)-2-pyridinyl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[5-chloro-3-(difluoromethyl)-2-pyridinyl]piperidin-4-yl]propan-2-ol is CC(C)(O)C1CCN(c2ncc(Cl)cc2C(F)F)CC1.
What is the InChIKey of 2-[1-[5-chloro-3-(difluoromethyl)-2-pyridinyl]piperidin-4-yl]propan-2-ol?
The InChIKey is DNXCHQMITKVNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF2N2O/c1-14(2,20)9-3-5-19(6-4-9)13-11(12(16)17)7-10(15)8-18-13/h7-9,12,20H,3-6H2,1-2H3.
What are the key properties of 2-[1-[5-chloro-3-(difluoromethyl)-2-pyridinyl]piperidin-4-yl]propan-2-ol?
2-[1-[5-chloro-3-(difluoromethyl)-2-pyridinyl]piperidin-4-yl]propan-2-ol has a molecular weight of 304.77 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-chloro-3-(difluoromethyl)-2-pyridinyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 68950840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).