[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol

C12H14ClF3N2O — CID 4850834

IUPAC[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C12H14ClF3N2O/c13-10-4-9(12(14,15)16)5-17-11(10)18-3-1-2-8(6-18)7-19/h4-5,8,19H,1-3,6-7H2
InChIKeySSZRKILRPILGAQ-UHFFFAOYSA-N
MW294.70 g/mol
LogP2.96
Rot. Bonds2

About [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol

[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol (PubChem CID 4850834) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol
PubChem CID4850834
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C12H14ClF3N2O/c13-10-4-9(12(14,15)16)5-17-11(10)18-3-1-2-8(6-18)7-19/h4-5,8,19H,1-3,6-7H2
InChIKeySSZRKILRPILGAQ-UHFFFAOYSA-N
XLogP2.96
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol (CID 4850834) is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol is OCC1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol?
The InChIKey is SSZRKILRPILGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c13-10-4-9(12(14,15)16)5-17-11(10)18-3-1-2-8(6-18)7-19/h4-5,8,19H,1-3,6-7H2.
What are the key properties of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol?
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol has a molecular weight of 294.70 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol is sourced from PubChem (CID 4850834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).