1-benzyl-4-(phenylmethoxymethyl)piperidine;hydrochloride

C20H26ClNO — CID 45262132

IUPAC1-benzyl-4-(phenylmethoxymethyl)piperidine;hydrochloride
SMILESCl.c1ccc(COCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25NO.ClH/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;1H
InChIKeyFHDJUAKVHGXCAT-UHFFFAOYSA-N
MW331.89 g/mol
LogP4.54
Rot. Bonds6

About 1-benzyl-4-(phenylmethoxymethyl)piperidine;hydrochloride

1-benzyl-4-(phenylmethoxymethyl)piperidine;hydrochloride (PubChem CID 45262132) has the molecular formula C20H26ClNO and a molecular weight of 331.89 g/mol. Its IUPAC name is 1-benzyl-4-(phenylmethoxymethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-(phenylmethoxymethyl)piperidine;hydrochloride
PubChem CID45262132
Molecular FormulaC20H26ClNO
Molecular Weight331.89 g/mol
Exact Mass331.17
IUPAC Name1-benzyl-4-(phenylmethoxymethyl)piperidine;hydrochloride
SMILESCl.c1ccc(COCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25NO.ClH/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;1H
InChIKeyFHDJUAKVHGXCAT-UHFFFAOYSA-N
XLogP4.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-4-(phenylmethoxymethyl)piperidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(phenylmethoxymethyl)piperidine;hydrochloride?
The IUPAC name of 1-benzyl-4-(phenylmethoxymethyl)piperidine;hydrochloride (CID 45262132) is 1-benzyl-4-(phenylmethoxymethyl)piperidine;hydrochloride.
What is the SMILES notation for 1-benzyl-4-(phenylmethoxymethyl)piperidine;hydrochloride?
The canonical SMILES for 1-benzyl-4-(phenylmethoxymethyl)piperidine;hydrochloride is Cl.c1ccc(COCC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(phenylmethoxymethyl)piperidine;hydrochloride?
The InChIKey is FHDJUAKVHGXCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO.ClH/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;1H.
What are the key properties of 1-benzyl-4-(phenylmethoxymethyl)piperidine;hydrochloride?
1-benzyl-4-(phenylmethoxymethyl)piperidine;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 4.54, 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;hydrochloride is sourced from PubChem (CID 45262132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).