3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine

C19H22ClNO — CID 23196644

IUPAC3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine
SMILESCN1CCC(c2ccccc2)C(COc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H22ClNO/c1-21-12-11-19(15-5-3-2-4-6-15)16(13-21)14-22-18-9-7-17(20)8-10-18/h2-10,16,19H,11-14H2,1H3
InChIKeyCTFZQZOEWNLSSP-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.45
Rot. Bonds4

About 3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine

3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine (PubChem CID 23196644) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine
PubChem CID23196644
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine
SMILESCN1CCC(c2ccccc2)C(COc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H22ClNO/c1-21-12-11-19(15-5-3-2-4-6-15)16(13-21)14-22-18-9-7-17(20)8-10-18/h2-10,16,19H,11-14H2,1H3
InChIKeyCTFZQZOEWNLSSP-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-4-phenylpiperidine
CID 11301802
(3R,4S)-3-[(4-chloronaphthalen-1-yl)oxymethyl]-1-methyl-4-phenylpiperidine
CID 18645287
(3S)-1-methyl-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine
CID 91340950
[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate
CID 22649568
2,3-dihydroxybutanedioic acid;(3S,4R)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidine
CID 70401571
2,3-dihydroxybutanedioic acid;4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidine
CID 23319406
1-(iodomethyl)-3-[(4-methoxyphenoxy)methyl]-4-phenylpiperidine
CID 70449893
1-methyl-4-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)piperidine
CID 70181617
3-[(4-methoxyphenoxy)methyl]-1-[methoxy(phenoxy)phosphoryl]-4-phenylpiperidine
CID 58600274
(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylic acid
CID 10824789
(3R,4R)-3-[(4-methoxyphenoxy)methyl]-4-phenyl-1-(1,1,2-trifluoroethyl)piperidine;hydrobromide
CID 67638292
(3R,4R)-1-methyl-3-phenyl-4-(4-phenylmethoxyphenoxy)piperidine;hydrochloride
CID 70531581

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine (CID 23196644) is 3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine is CN1CCC(c2ccccc2)C(COc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine?
The InChIKey is CTFZQZOEWNLSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-21-12-11-19(15-5-3-2-4-6-15)16(13-21)14-22-18-9-7-17(20)8-10-18/h2-10,16,19H,11-14H2,1H3.
What are the key properties of 3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine?
3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine has a molecular weight of 315.84 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine is sourced from PubChem (CID 23196644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).