(3R,5S)-1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3,5-difluoropiperidine

C20H22ClF2NO — CID 134827937

IUPAC(3R,5S)-1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3,5-difluoropiperidine
SMILESF[C@@H]1C[C@H](F)CN(CCOC(c2ccccc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22ClF2NO/c21-17-8-6-16(7-9-17)20(15-4-2-1-3-5-15)25-11-10-24-13-18(22)12-19(23)14-24/h1-9,18-20H,10-14H2/t18-,19+,20?
InChIKeyCKACUFKSUFRRNP-YOFSQIOKSA-N
MW365.85 g/mol
LogP4.83
Rot. Bonds6

About (3R,5S)-1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3,5-difluoropiperidine

(3R,5S)-1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3,5-difluoropiperidine (PubChem CID 134827937) has the molecular formula C20H22ClF2NO and a molecular weight of 365.85 g/mol. Its IUPAC name is (3R,5S)-1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3,5-difluoropiperidine.

Molecular Properties

Compound Name(3R,5S)-1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3,5-difluoropiperidine
PubChem CID134827937
Molecular FormulaC20H22ClF2NO
Molecular Weight365.85 g/mol
Exact Mass365.14
IUPAC Name(3R,5S)-1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3,5-difluoropiperidine
SMILESF[C@@H]1C[C@H](F)CN(CCOC(c2ccccc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22ClF2NO/c21-17-8-6-16(7-9-17)20(15-4-2-1-3-5-15)25-11-10-24-13-18(22)12-19(23)14-24/h1-9,18-20H,10-14H2/t18-,19+,20?
InChIKeyCKACUFKSUFRRNP-YOFSQIOKSA-N
XLogP4.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.85
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,5S)-1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3,5-difluoropiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3,5-difluoropiperidine?
The IUPAC name of (3R,5S)-1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3,5-difluoropiperidine (CID 134827937) is (3R,5S)-1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3,5-difluoropiperidine.
What is the SMILES notation for (3R,5S)-1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3,5-difluoropiperidine?
The canonical SMILES for (3R,5S)-1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3,5-difluoropiperidine is F[C@@H]1C[C@H](F)CN(CCOC(c2ccccc2)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3R,5S)-1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3,5-difluoropiperidine?
The InChIKey is CKACUFKSUFRRNP-YOFSQIOKSA-N. The full InChI is InChI=1S/C20H22ClF2NO/c21-17-8-6-16(7-9-17)20(15-4-2-1-3-5-15)25-11-10-24-13-18(22)12-19(23)14-24/h1-9,18-20H,10-14H2/t18-,19+,20?.
What are the key properties of (3R,5S)-1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3,5-difluoropiperidine?
(3R,5S)-1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3,5-difluoropiperidine has a molecular weight of 365.85 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3,5-difluoropiperidine is sourced from PubChem (CID 134827937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).