1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride

C20H26ClNO2 — CID 70065805

IUPAC1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
SMILESCN1CCCCC1COc1ccc(OCc2ccccc2)cc1.Cl
InChIInChI=1S/C20H25NO2.ClH/c1-21-14-6-5-9-18(21)16-23-20-12-10-19(11-13-20)22-15-17-7-3-2-4-8-17;/h2-4,7-8,10-13,18H,5-6,9,14-16H2,1H3;1H
InChIKeyCPWXYGISCQSEFV-UHFFFAOYSA-N
MW347.89 g/mol
LogP4.55
Rot. Bonds6

About 1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride

1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride (PubChem CID 70065805) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
PubChem CID70065805
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC Name1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
SMILESCN1CCCCC1COc1ccc(OCc2ccccc2)cc1.Cl
InChIInChI=1S/C20H25NO2.ClH/c1-21-14-6-5-9-18(21)16-23-20-12-10-19(11-13-20)22-15-17-7-3-2-4-8-17;/h2-4,7-8,10-13,18H,5-6,9,14-16H2,1H3;1H
InChIKeyCPWXYGISCQSEFV-UHFFFAOYSA-N
XLogP4.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
CID 102814695
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
acetic acid;2-[(4-ethylphenoxy)methyl]-1-methylpyrrolidine
CID 91515724
3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline
CID 20738719
[1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol
CID 23961585
tert-butyl (2S)-2-[(4-phenylmethoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 68999596
1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine
CID 91843602
1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine
CID 56785924
4-[(Z)-5-hydroxy-1-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride
CID 162670575
2-(benzhydryloxymethyl)-1-methylpiperidine
CID 23337120
benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 130580965
(2R)-2-[[4-[(3-methoxyphenyl)methoxy]phenoxy]methyl]pyrrolidine-1-carboxylic acid
CID 69402656

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride?
The IUPAC name of 1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride (CID 70065805) is 1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride.
What is the SMILES notation for 1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride?
The canonical SMILES for 1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride is CN1CCCCC1COc1ccc(OCc2ccccc2)cc1.Cl.
What is the InChIKey of 1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride?
The InChIKey is CPWXYGISCQSEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2.ClH/c1-21-14-6-5-9-18(21)16-23-20-12-10-19(11-13-20)22-15-17-7-3-2-4-8-17;/h2-4,7-8,10-13,18H,5-6,9,14-16H2,1H3;1H.
What are the key properties of 1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride?
1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride is sourced from PubChem (CID 70065805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).