(2R,4S)-4-[bis(4-chlorophenyl)methoxy]-1-methyl-2-propan-2-ylpiperidine

C22H27Cl2NO — CID 24874576

IUPAC(2R,4S)-4-[bis(4-chlorophenyl)methoxy]-1-methyl-2-propan-2-ylpiperidine
SMILESCC(C)[C@H]1C[C@@H](OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCN1C
InChIInChI=1S/C22H27Cl2NO/c1-15(2)21-14-20(12-13-25(21)3)26-22(16-4-8-18(23)9-5-16)17-6-10-19(24)11-7-17/h4-11,15,20-22H,12-14H2,1-3H3/t20-,21+/m0/s1
InChIKeyQXIKCMKINIYRRC-LEWJYISDSA-N
MW392.37 g/mol
LogP6.22
Rot. Bonds5

About (2R,4S)-4-[bis(4-chlorophenyl)methoxy]-1-methyl-2-propan-2-ylpiperidine

(2R,4S)-4-[bis(4-chlorophenyl)methoxy]-1-methyl-2-propan-2-ylpiperidine (PubChem CID 24874576) has the molecular formula C22H27Cl2NO and a molecular weight of 392.37 g/mol. Its IUPAC name is (2R,4S)-4-[bis(4-chlorophenyl)methoxy]-1-methyl-2-propan-2-ylpiperidine.

Molecular Properties

Compound Name(2R,4S)-4-[bis(4-chlorophenyl)methoxy]-1-methyl-2-propan-2-ylpiperidine
PubChem CID24874576
Molecular FormulaC22H27Cl2NO
Molecular Weight392.37 g/mol
Exact Mass391.15
IUPAC Name(2R,4S)-4-[bis(4-chlorophenyl)methoxy]-1-methyl-2-propan-2-ylpiperidine
SMILESCC(C)[C@H]1C[C@@H](OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCN1C
InChIInChI=1S/C22H27Cl2NO/c1-15(2)21-14-20(12-13-25(21)3)26-22(16-4-8-18(23)9-5-16)17-6-10-19(24)11-7-17/h4-11,15,20-22H,12-14H2,1-3H3/t20-,21+/m0/s1
InChIKeyQXIKCMKINIYRRC-LEWJYISDSA-N
XLogP6.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.37
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,4S)-4-[bis(4-chlorophenyl)methoxy]-1-methyl-2-propan-2-ylpiperidine with MolForge

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

Launch Full Analysis

Related Compounds

Clemastine
CID 26987
Diphenylpyraline
CID 3103
Cloperastine
CID 2805
Cloperastine Hydrochloride
CID 161104
Diphenylpyraline Hydrochloride
CID 66063
Clobenztropine
CID 1687
Clofenetamine
CID 71812
2-[2-[1-(4-Chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine
CID 2781
Chlorphenoxamine Hydrochloride
CID 11223
SL 6057
CID 203135
Mecloxamine
CID 3045406
Levocloperastine
CID 688420

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-[bis(4-chlorophenyl)methoxy]-1-methyl-2-propan-2-ylpiperidine?
The IUPAC name of (2R,4S)-4-[bis(4-chlorophenyl)methoxy]-1-methyl-2-propan-2-ylpiperidine (CID 24874576) is (2R,4S)-4-[bis(4-chlorophenyl)methoxy]-1-methyl-2-propan-2-ylpiperidine.
What is the SMILES notation for (2R,4S)-4-[bis(4-chlorophenyl)methoxy]-1-methyl-2-propan-2-ylpiperidine?
The canonical SMILES for (2R,4S)-4-[bis(4-chlorophenyl)methoxy]-1-methyl-2-propan-2-ylpiperidine is CC(C)[C@H]1C[C@@H](OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCN1C.
What is the InChIKey of (2R,4S)-4-[bis(4-chlorophenyl)methoxy]-1-methyl-2-propan-2-ylpiperidine?
The InChIKey is QXIKCMKINIYRRC-LEWJYISDSA-N. The full InChI is InChI=1S/C22H27Cl2NO/c1-15(2)21-14-20(12-13-25(21)3)26-22(16-4-8-18(23)9-5-16)17-6-10-19(24)11-7-17/h4-11,15,20-22H,12-14H2,1-3H3/t20-,21+/m0/s1.
What are the key properties of (2R,4S)-4-[bis(4-chlorophenyl)methoxy]-1-methyl-2-propan-2-ylpiperidine?
(2R,4S)-4-[bis(4-chlorophenyl)methoxy]-1-methyl-2-propan-2-ylpiperidine has a molecular weight of 392.37 g/mol, XLogP of 6.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-[bis(4-chlorophenyl)methoxy]-1-methyl-2-propan-2-ylpiperidine is sourced from PubChem (CID 24874576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).