2-(benzhydryloxymethyl)-1-methylpiperidine

C20H25NO — CID 23337120

IUPAC2-(benzhydryloxymethyl)-1-methylpiperidine
SMILESCN1CCCCC1COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO/c1-21-15-9-8-14-19(21)16-22-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,19-20H,8-9,14-16H2,1H3
InChIKeyZAAQDKXSEIMBLP-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.28
Rot. Bonds5

About 2-(benzhydryloxymethyl)-1-methylpiperidine

2-(benzhydryloxymethyl)-1-methylpiperidine (PubChem CID 23337120) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(benzhydryloxymethyl)-1-methylpiperidine.

Molecular Properties

Compound Name2-(benzhydryloxymethyl)-1-methylpiperidine
PubChem CID23337120
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-(benzhydryloxymethyl)-1-methylpiperidine
SMILESCN1CCCCC1COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO/c1-21-15-9-8-14-19(21)16-22-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,19-20H,8-9,14-16H2,1H3
InChIKeyZAAQDKXSEIMBLP-UHFFFAOYSA-N
XLogP4.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-but-2-enedioic acid;1-methyl-2-[[(4-methylphenyl)-phenylmethoxy]methyl]piperidine
CID 70591601
2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 111113369
(2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine
CID 11708725
(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol;hydrochloride
CID 24842687
(2R)-2-methoxy-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
CID 95615873
1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine
CID 56785924
N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine
CID 57173334
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
2-[2-(2-chlorophenoxy)-2-phenylethyl]-1-methylpiperidine
CID 54501628
1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
CID 70065805
2-(2-benzhydryloxyethyl)-1-methylpyrrolidine;(2S)-2-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine;1-(2,2-dicyclohexylethyl)piperidine;1-(2,2-diphenylethyl)piperidine
CID 159066103
(2S)-2-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]pyrrolidine;(2S)-2-[bis(4-chlorophenyl)methoxymethyl]-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine;(2S)-2-[bis(4-methoxyphenyl)methoxymethyl]-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 159429693

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydryloxymethyl)-1-methylpiperidine?
The IUPAC name of 2-(benzhydryloxymethyl)-1-methylpiperidine (CID 23337120) is 2-(benzhydryloxymethyl)-1-methylpiperidine.
What is the SMILES notation for 2-(benzhydryloxymethyl)-1-methylpiperidine?
The canonical SMILES for 2-(benzhydryloxymethyl)-1-methylpiperidine is CN1CCCCC1COC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzhydryloxymethyl)-1-methylpiperidine?
The InChIKey is ZAAQDKXSEIMBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-21-15-9-8-14-19(21)16-22-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,19-20H,8-9,14-16H2,1H3.
What are the key properties of 2-(benzhydryloxymethyl)-1-methylpiperidine?
2-(benzhydryloxymethyl)-1-methylpiperidine has a molecular weight of 295.43 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydryloxymethyl)-1-methylpiperidine is sourced from PubChem (CID 23337120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).