N-[2-(4-benzylpiperidin-1-yl)propyl]-N-ethylaniline

C23H32N2 — CID 166627388

IUPACN-[2-(4-benzylpiperidin-1-yl)propyl]-N-ethylaniline
SMILESCCN(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H32N2/c1-3-24(23-12-8-5-9-13-23)19-20(2)25-16-14-22(15-17-25)18-21-10-6-4-7-11-21/h4-13,20,22H,3,14-19H2,1-2H3
InChIKeyONISSAOSIYQPPR-UHFFFAOYSA-N
MW336.52 g/mol
LogP4.86
Rot. Bonds7

About N-[2-(4-benzylpiperidin-1-yl)propyl]-N-ethylaniline

N-[2-(4-benzylpiperidin-1-yl)propyl]-N-ethylaniline (PubChem CID 166627388) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)propyl]-N-ethylaniline.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)propyl]-N-ethylaniline
PubChem CID166627388
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)propyl]-N-ethylaniline
SMILESCCN(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H32N2/c1-3-24(23-12-8-5-9-13-23)19-20(2)25-16-14-22(15-17-25)18-21-10-6-4-7-11-21/h4-13,20,22H,3,14-19H2,1-2H3
InChIKeyONISSAOSIYQPPR-UHFFFAOYSA-N
XLogP4.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-ethylaniline?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-ethylaniline (CID 166627388) is N-[2-(4-benzylpiperidin-1-yl)propyl]-N-ethylaniline.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)propyl]-N-ethylaniline?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)propyl]-N-ethylaniline is CCN(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-ethylaniline?
The InChIKey is ONISSAOSIYQPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/c1-3-24(23-12-8-5-9-13-23)19-20(2)25-16-14-22(15-17-25)18-21-10-6-4-7-11-21/h4-13,20,22H,3,14-19H2,1-2H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)propyl]-N-ethylaniline?
N-[2-(4-benzylpiperidin-1-yl)propyl]-N-ethylaniline has a molecular weight of 336.52 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)propyl]-N-ethylaniline is sourced from PubChem (CID 166627388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).