N-[2-(1-methylpiperidin-2-yl)ethyl]-N-phenylaniline

C20H26N2 — CID 24988035

IUPACN-[2-(1-methylpiperidin-2-yl)ethyl]-N-phenylaniline
SMILESCN1CCCCC1CCN(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2/c1-21-16-9-8-10-18(21)15-17-22(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-7,11-14,18H,8-10,15-17H2,1H3
InChIKeyQSTKQWKOXHPARV-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.70
Rot. Bonds5

About N-[2-(1-methylpiperidin-2-yl)ethyl]-N-phenylaniline

N-[2-(1-methylpiperidin-2-yl)ethyl]-N-phenylaniline (PubChem CID 24988035) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-2-yl)ethyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-2-yl)ethyl]-N-phenylaniline
PubChem CID24988035
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC NameN-[2-(1-methylpiperidin-2-yl)ethyl]-N-phenylaniline
SMILESCN1CCCCC1CCN(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2/c1-21-16-9-8-10-18(21)15-17-22(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-7,11-14,18H,8-10,15-17H2,1H3
InChIKeyQSTKQWKOXHPARV-UHFFFAOYSA-N
XLogP4.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-2-yl)ethyl]-N-phenylaniline?
The IUPAC name of N-[2-(1-methylpiperidin-2-yl)ethyl]-N-phenylaniline (CID 24988035) is N-[2-(1-methylpiperidin-2-yl)ethyl]-N-phenylaniline.
What is the SMILES notation for N-[2-(1-methylpiperidin-2-yl)ethyl]-N-phenylaniline?
The canonical SMILES for N-[2-(1-methylpiperidin-2-yl)ethyl]-N-phenylaniline is CN1CCCCC1CCN(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(1-methylpiperidin-2-yl)ethyl]-N-phenylaniline?
The InChIKey is QSTKQWKOXHPARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-21-16-9-8-10-18(21)15-17-22(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-7,11-14,18H,8-10,15-17H2,1H3.
What are the key properties of N-[2-(1-methylpiperidin-2-yl)ethyl]-N-phenylaniline?
N-[2-(1-methylpiperidin-2-yl)ethyl]-N-phenylaniline has a molecular weight of 294.44 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-2-yl)ethyl]-N-phenylaniline is sourced from PubChem (CID 24988035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).