1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine

C20H24ClNO — CID 155556362

IUPAC1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine
SMILESCOc1ccc(CN2CCCC(C)C2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C20H24ClNO/c1-15-5-4-10-22(13-15)14-16-8-9-20(23-2)19(11-16)17-6-3-7-18(21)12-17/h3,6-9,11-12,15H,4-5,10,13-14H2,1-2H3
InChIKeyWXTKZPYCIMNDEU-UHFFFAOYSA-N
MW329.87 g/mol
LogP5.25
Rot. Bonds4

About 1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine

1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine (PubChem CID 155556362) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine
PubChem CID155556362
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine
SMILESCOc1ccc(CN2CCCC(C)C2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C20H24ClNO/c1-15-5-4-10-22(13-15)14-16-8-9-20(23-2)19(11-16)17-6-3-7-18(21)12-17/h3,6-9,11-12,15H,4-5,10,13-14H2,1-2H3
InChIKeyWXTKZPYCIMNDEU-UHFFFAOYSA-N
XLogP5.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.87
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine
CID 783360
[2-methoxy-5-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341268
2-(3-chlorophenyl)-5-[(3-methylpiperidin-1-yl)methyl]-1,3-benzoxazole
CID 91682488
N-[(3-chlorophenyl)methyl]-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 134796270
(3-chlorophenyl)-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42516135
(3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42516133
5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-[(2R)-2-hydroperoxypyrrolidin-1-yl]pyridine
CID 143810453
1-benzyl-3-methylpiperidine
CID 2794856
1-[[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypiperidine
CID 162627048
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
CID 70461714
N'-hydroxy-2-methoxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 106789288

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine?
The IUPAC name of 1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine (CID 155556362) is 1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine.
What is the SMILES notation for 1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine?
The canonical SMILES for 1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine is COc1ccc(CN2CCCC(C)C2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine?
The InChIKey is WXTKZPYCIMNDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c1-15-5-4-10-22(13-15)14-16-8-9-20(23-2)19(11-16)17-6-3-7-18(21)12-17/h3,6-9,11-12,15H,4-5,10,13-14H2,1-2H3.
What are the key properties of 1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine?
1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine has a molecular weight of 329.87 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine is sourced from PubChem (CID 155556362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).