1-benzyl-4-(phenylmethoxymethyl)piperidine

C20H25NO — CID 10063111

IUPAC1-benzyl-4-(phenylmethoxymethyl)piperidine
SMILESc1ccc(COCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25NO/c1-3-7-18(8-4-1)15-21-13-11-20(12-14-21)17-22-16-19-9-5-2-6-10-19/h1-10,20H,11-17H2
InChIKeyCHUMPFKYVVLYMQ-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.12
Rot. Bonds6

About 1-benzyl-4-(phenylmethoxymethyl)piperidine

1-benzyl-4-(phenylmethoxymethyl)piperidine (PubChem CID 10063111) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-benzyl-4-(phenylmethoxymethyl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(phenylmethoxymethyl)piperidine
PubChem CID10063111
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-benzyl-4-(phenylmethoxymethyl)piperidine
SMILESc1ccc(COCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25NO/c1-3-7-18(8-4-1)15-21-13-11-20(12-14-21)17-22-16-19-9-5-2-6-10-19/h1-10,20H,11-17H2
InChIKeyCHUMPFKYVVLYMQ-UHFFFAOYSA-N
XLogP4.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diphenylpyraline
CID 3103
Diphenylpyraline Hydrochloride
CID 66063
4-[2-(Diphenylmethoxy)ethyl]-1-[(4-iodophenyl)methyl]piperidine
CID 9914327
1'-Benzylspiro[isochroman-1,4'-piperidine]
CID 10266413
1''-[4-Fluorobenzyl]-3H-spiro[[2]benzofuran-1,4''piperidine]
CID 44574529
1-Benzhydryl-4-ethoxy-4-phenylpiperidine
CID 10022129
1-Benzhydryl-4-methoxy-4-phenylpiperidine
CID 10043898
1-Benzhydryl-4-phenyl-4-propoxypiperidine
CID 10317947
1-Benzhydryl-4-(benzyloxy)-4-phenylpiperidine
CID 10388166
3-Benzyloxy-2-phenyl-piperidine
CID 44331794
1''-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofuran-1,4''-piperidine]
CID 44474938
1'-Benzyl-3-(2-fluoroethyl)-3h-spiro[isobenzofurane-1,4'-piperidine]
CID 50994498

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(phenylmethoxymethyl)piperidine?
The IUPAC name of 1-benzyl-4-(phenylmethoxymethyl)piperidine (CID 10063111) is 1-benzyl-4-(phenylmethoxymethyl)piperidine.
What is the SMILES notation for 1-benzyl-4-(phenylmethoxymethyl)piperidine?
The canonical SMILES for 1-benzyl-4-(phenylmethoxymethyl)piperidine is c1ccc(COCC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(phenylmethoxymethyl)piperidine?
The InChIKey is CHUMPFKYVVLYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-3-7-18(8-4-1)15-21-13-11-20(12-14-21)17-22-16-19-9-5-2-6-10-19/h1-10,20H,11-17H2.
What are the key properties of 1-benzyl-4-(phenylmethoxymethyl)piperidine?
1-benzyl-4-(phenylmethoxymethyl)piperidine has a molecular weight of 295.43 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(phenylmethoxymethyl)piperidine is sourced from PubChem (CID 10063111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).