N,1-dibenzyl-N-ethylpiperidin-4-amine

C21H28N2 — CID 1378406

IUPACN,1-dibenzyl-N-ethylpiperidin-4-amine
SMILESCCN(Cc1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H28N2/c1-2-23(18-20-11-7-4-8-12-20)21-13-15-22(16-14-21)17-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
InChIKeyJYTHHZBKYBVDOX-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.17
Rot. Bonds6

About N,1-dibenzyl-N-ethylpiperidin-4-amine

N,1-dibenzyl-N-ethylpiperidin-4-amine (PubChem CID 1378406) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N,1-dibenzyl-N-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN,1-dibenzyl-N-ethylpiperidin-4-amine
PubChem CID1378406
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC NameN,1-dibenzyl-N-ethylpiperidin-4-amine
SMILESCCN(Cc1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H28N2/c1-2-23(18-20-11-7-4-8-12-20)21-13-15-22(16-14-21)17-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
InChIKeyJYTHHZBKYBVDOX-UHFFFAOYSA-N
XLogP4.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,1-dibenzyl-N-ethylpiperidin-4-amine?
The IUPAC name of N,1-dibenzyl-N-ethylpiperidin-4-amine (CID 1378406) is N,1-dibenzyl-N-ethylpiperidin-4-amine.
What is the SMILES notation for N,1-dibenzyl-N-ethylpiperidin-4-amine?
The canonical SMILES for N,1-dibenzyl-N-ethylpiperidin-4-amine is CCN(Cc1ccccc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N,1-dibenzyl-N-ethylpiperidin-4-amine?
The InChIKey is JYTHHZBKYBVDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-2-23(18-20-11-7-4-8-12-20)21-13-15-22(16-14-21)17-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3.
What are the key properties of N,1-dibenzyl-N-ethylpiperidin-4-amine?
N,1-dibenzyl-N-ethylpiperidin-4-amine has a molecular weight of 308.47 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibenzyl-N-ethylpiperidin-4-amine is sourced from PubChem (CID 1378406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).