4-[(2-chlorophenyl)-phenylmethoxy]-1-methylpiperidine

C19H22ClNO — CID 19874420

IUPAC4-[(2-chlorophenyl)-phenylmethoxy]-1-methylpiperidine
SMILESCN1CCC(OC(c2ccccc2)c2ccccc2Cl)CC1
InChIInChI=1S/C19H22ClNO/c1-21-13-11-16(12-14-21)22-19(15-7-3-2-4-8-15)17-9-5-6-10-18(17)20/h2-10,16,19H,11-14H2,1H3
InChIKeyUDNDDKJJOHOMFO-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.54
Rot. Bonds4

About 4-[(2-chlorophenyl)-phenylmethoxy]-1-methylpiperidine

4-[(2-chlorophenyl)-phenylmethoxy]-1-methylpiperidine (PubChem CID 19874420) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)-phenylmethoxy]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)-phenylmethoxy]-1-methylpiperidine
PubChem CID19874420
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name4-[(2-chlorophenyl)-phenylmethoxy]-1-methylpiperidine
SMILESCN1CCC(OC(c2ccccc2)c2ccccc2Cl)CC1
InChIInChI=1S/C19H22ClNO/c1-21-13-11-16(12-14-21)22-19(15-7-3-2-4-8-15)17-9-5-6-10-18(17)20/h2-10,16,19H,11-14H2,1H3
InChIKeyUDNDDKJJOHOMFO-UHFFFAOYSA-N
XLogP4.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 26987
Diphenylpyraline
CID 3103
Cloperastine
CID 2805
Diphenylpyraline Hydrochloride
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Cloperastine Hydrochloride
CID 161104
Clobenztropine
CID 1687
Clofenetamine
CID 71812
2-[2-[1-(4-Chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine
CID 2781
SL 6057
CID 203135
Mecloxamine
CID 3045406
Chlorbenzoxamine
CID 71636
Levocloperastine
CID 688420

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)-phenylmethoxy]-1-methylpiperidine?
The IUPAC name of 4-[(2-chlorophenyl)-phenylmethoxy]-1-methylpiperidine (CID 19874420) is 4-[(2-chlorophenyl)-phenylmethoxy]-1-methylpiperidine.
What is the SMILES notation for 4-[(2-chlorophenyl)-phenylmethoxy]-1-methylpiperidine?
The canonical SMILES for 4-[(2-chlorophenyl)-phenylmethoxy]-1-methylpiperidine is CN1CCC(OC(c2ccccc2)c2ccccc2Cl)CC1.
What is the InChIKey of 4-[(2-chlorophenyl)-phenylmethoxy]-1-methylpiperidine?
The InChIKey is UDNDDKJJOHOMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-21-13-11-16(12-14-21)22-19(15-7-3-2-4-8-15)17-9-5-6-10-18(17)20/h2-10,16,19H,11-14H2,1H3.
What are the key properties of 4-[(2-chlorophenyl)-phenylmethoxy]-1-methylpiperidine?
4-[(2-chlorophenyl)-phenylmethoxy]-1-methylpiperidine has a molecular weight of 315.84 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)-phenylmethoxy]-1-methylpiperidine is sourced from PubChem (CID 19874420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).