N-benzyl-N-methyl-2-(1-methyl-2-phenylpiperidin-4-yl)ethanamine

C22H30N2 — CID 171354828

IUPACN-benzyl-N-methyl-2-(1-methyl-2-phenylpiperidin-4-yl)ethanamine
SMILESCN(CCC1CCN(C)C(c2ccccc2)C1)Cc1ccccc1
InChIInChI=1S/C22H30N2/c1-23(18-20-9-5-3-6-10-20)15-13-19-14-16-24(2)22(17-19)21-11-7-4-8-12-21/h3-12,19,22H,13-18H2,1-2H3
InChIKeyYYSCUEWWTGBLHV-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.59
Rot. Bonds6

About N-benzyl-N-methyl-2-(1-methyl-2-phenylpiperidin-4-yl)ethanamine

N-benzyl-N-methyl-2-(1-methyl-2-phenylpiperidin-4-yl)ethanamine (PubChem CID 171354828) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(1-methyl-2-phenylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(1-methyl-2-phenylpiperidin-4-yl)ethanamine
PubChem CID171354828
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC NameN-benzyl-N-methyl-2-(1-methyl-2-phenylpiperidin-4-yl)ethanamine
SMILESCN(CCC1CCN(C)C(c2ccccc2)C1)Cc1ccccc1
InChIInChI=1S/C22H30N2/c1-23(18-20-9-5-3-6-10-20)15-13-19-14-16-24(2)22(17-19)21-11-7-4-8-12-21/h3-12,19,22H,13-18H2,1-2H3
InChIKeyYYSCUEWWTGBLHV-UHFFFAOYSA-N
XLogP4.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(1-methyl-2-phenylpiperidin-4-yl)ethanamine?
The IUPAC name of N-benzyl-N-methyl-2-(1-methyl-2-phenylpiperidin-4-yl)ethanamine (CID 171354828) is N-benzyl-N-methyl-2-(1-methyl-2-phenylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-benzyl-N-methyl-2-(1-methyl-2-phenylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-benzyl-N-methyl-2-(1-methyl-2-phenylpiperidin-4-yl)ethanamine is CN(CCC1CCN(C)C(c2ccccc2)C1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-2-(1-methyl-2-phenylpiperidin-4-yl)ethanamine?
The InChIKey is YYSCUEWWTGBLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-23(18-20-9-5-3-6-10-20)15-13-19-14-16-24(2)22(17-19)21-11-7-4-8-12-21/h3-12,19,22H,13-18H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-2-(1-methyl-2-phenylpiperidin-4-yl)ethanamine?
N-benzyl-N-methyl-2-(1-methyl-2-phenylpiperidin-4-yl)ethanamine has a molecular weight of 322.50 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(1-methyl-2-phenylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 171354828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).