4-chloro-3-[3,3-difluoro-4-(phenylmethoxymethyl)piperidin-1-yl]pyridine

C18H19ClF2N2O — CID 118450398

IUPAC4-chloro-3-[3,3-difluoro-4-(phenylmethoxymethyl)piperidin-1-yl]pyridine
SMILESFC1(F)CN(c2cnccc2Cl)CCC1COCc1ccccc1
InChIInChI=1S/C18H19ClF2N2O/c19-16-6-8-22-10-17(16)23-9-7-15(18(20,21)13-23)12-24-11-14-4-2-1-3-5-14/h1-6,8,10,15H,7,9,11-13H2
InChIKeyKWCYIBNSHMTMNK-UHFFFAOYSA-N
MW352.81 g/mol
LogP4.41
Rot. Bonds5

About 4-chloro-3-[3,3-difluoro-4-(phenylmethoxymethyl)piperidin-1-yl]pyridine

4-chloro-3-[3,3-difluoro-4-(phenylmethoxymethyl)piperidin-1-yl]pyridine (PubChem CID 118450398) has the molecular formula C18H19ClF2N2O and a molecular weight of 352.81 g/mol. Its IUPAC name is 4-chloro-3-[3,3-difluoro-4-(phenylmethoxymethyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name4-chloro-3-[3,3-difluoro-4-(phenylmethoxymethyl)piperidin-1-yl]pyridine
PubChem CID118450398
Molecular FormulaC18H19ClF2N2O
Molecular Weight352.81 g/mol
Exact Mass352.12
IUPAC Name4-chloro-3-[3,3-difluoro-4-(phenylmethoxymethyl)piperidin-1-yl]pyridine
SMILESFC1(F)CN(c2cnccc2Cl)CCC1COCc1ccccc1
InChIInChI=1S/C18H19ClF2N2O/c19-16-6-8-22-10-17(16)23-9-7-15(18(20,21)13-23)12-24-11-14-4-2-1-3-5-14/h1-6,8,10,15H,7,9,11-13H2
InChIKeyKWCYIBNSHMTMNK-UHFFFAOYSA-N
XLogP4.41
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.81
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[3,3-difluoro-4-(phenylmethoxymethyl)piperidin-1-yl]pyridine?
The IUPAC name of 4-chloro-3-[3,3-difluoro-4-(phenylmethoxymethyl)piperidin-1-yl]pyridine (CID 118450398) is 4-chloro-3-[3,3-difluoro-4-(phenylmethoxymethyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 4-chloro-3-[3,3-difluoro-4-(phenylmethoxymethyl)piperidin-1-yl]pyridine?
The canonical SMILES for 4-chloro-3-[3,3-difluoro-4-(phenylmethoxymethyl)piperidin-1-yl]pyridine is FC1(F)CN(c2cnccc2Cl)CCC1COCc1ccccc1.
What is the InChIKey of 4-chloro-3-[3,3-difluoro-4-(phenylmethoxymethyl)piperidin-1-yl]pyridine?
The InChIKey is KWCYIBNSHMTMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF2N2O/c19-16-6-8-22-10-17(16)23-9-7-15(18(20,21)13-23)12-24-11-14-4-2-1-3-5-14/h1-6,8,10,15H,7,9,11-13H2.
What are the key properties of 4-chloro-3-[3,3-difluoro-4-(phenylmethoxymethyl)piperidin-1-yl]pyridine?
4-chloro-3-[3,3-difluoro-4-(phenylmethoxymethyl)piperidin-1-yl]pyridine has a molecular weight of 352.81 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[3,3-difluoro-4-(phenylmethoxymethyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 118450398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).