4-[bis(4-chlorophenyl)methoxy]-1-methylpiperidine

C19H21Cl2NO — CID 24874575

IUPAC4-[bis(4-chlorophenyl)methoxy]-1-methylpiperidine
SMILESCN1CCC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21Cl2NO/c1-22-12-10-18(11-13-22)23-19(14-2-6-16(20)7-3-14)15-4-8-17(21)9-5-15/h2-9,18-19H,10-13H2,1H3
InChIKeyMFAAVSRLYJPXBW-UHFFFAOYSA-N
MW350.29 g/mol
LogP5.19
Rot. Bonds4

About 4-[bis(4-chlorophenyl)methoxy]-1-methylpiperidine

4-[bis(4-chlorophenyl)methoxy]-1-methylpiperidine (PubChem CID 24874575) has the molecular formula C19H21Cl2NO and a molecular weight of 350.29 g/mol. Its IUPAC name is 4-[bis(4-chlorophenyl)methoxy]-1-methylpiperidine.

Molecular Properties

Compound Name4-[bis(4-chlorophenyl)methoxy]-1-methylpiperidine
PubChem CID24874575
Molecular FormulaC19H21Cl2NO
Molecular Weight350.29 g/mol
Exact Mass349.10
IUPAC Name4-[bis(4-chlorophenyl)methoxy]-1-methylpiperidine
SMILESCN1CCC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21Cl2NO/c1-22-12-10-18(11-13-22)23-19(14-2-6-16(20)7-3-14)15-4-8-17(21)9-5-15/h2-9,18-19H,10-13H2,1H3
InChIKeyMFAAVSRLYJPXBW-UHFFFAOYSA-N
XLogP5.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.29
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Cloperastine
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Diphenylpyraline Hydrochloride
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Pitolisant Hydrochloride
CID 11551689
Clobenztropine
CID 1687
Clofenetamine
CID 71812
Mecloxamine
CID 3045406
2-[2-[1-(4-Chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine
CID 2781
Chlorphenoxamine Hydrochloride
CID 11223

Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-chlorophenyl)methoxy]-1-methylpiperidine?
The IUPAC name of 4-[bis(4-chlorophenyl)methoxy]-1-methylpiperidine (CID 24874575) is 4-[bis(4-chlorophenyl)methoxy]-1-methylpiperidine.
What is the SMILES notation for 4-[bis(4-chlorophenyl)methoxy]-1-methylpiperidine?
The canonical SMILES for 4-[bis(4-chlorophenyl)methoxy]-1-methylpiperidine is CN1CCC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[bis(4-chlorophenyl)methoxy]-1-methylpiperidine?
The InChIKey is MFAAVSRLYJPXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO/c1-22-12-10-18(11-13-22)23-19(14-2-6-16(20)7-3-14)15-4-8-17(21)9-5-15/h2-9,18-19H,10-13H2,1H3.
What are the key properties of 4-[bis(4-chlorophenyl)methoxy]-1-methylpiperidine?
4-[bis(4-chlorophenyl)methoxy]-1-methylpiperidine has a molecular weight of 350.29 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-chlorophenyl)methoxy]-1-methylpiperidine is sourced from PubChem (CID 24874575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).