1-benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine

C20H26N2O — CID 3047724

IUPAC1-benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine
SMILESCOCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H26N2O/c1-23-17-20(21-19-10-6-3-7-11-19)12-14-22(15-13-20)16-18-8-4-2-5-9-18/h2-11,21H,12-17H2,1H3
InChIKeyQBUUEBUUMUYSIY-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.78
Rot. Bonds6

About 1-benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine

1-benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine (PubChem CID 3047724) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine
PubChem CID3047724
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine
SMILESCOCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H26N2O/c1-23-17-20(21-19-10-6-3-7-11-19)12-14-22(15-13-20)16-18-8-4-2-5-9-18/h2-11,21H,12-17H2,1H3
InChIKeyQBUUEBUUMUYSIY-UHFFFAOYSA-N
XLogP3.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine?
The IUPAC name of 1-benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine (CID 3047724) is 1-benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine.
What is the SMILES notation for 1-benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine?
The canonical SMILES for 1-benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine is COCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine?
The InChIKey is QBUUEBUUMUYSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-23-17-20(21-19-10-6-3-7-11-19)12-14-22(15-13-20)16-18-8-4-2-5-9-18/h2-11,21H,12-17H2,1H3.
What are the key properties of 1-benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine?
1-benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine has a molecular weight of 310.44 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine is sourced from PubChem (CID 3047724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).