N-benzyl-N-(2-phenylethyl)-1-propylpiperidin-4-amine

C23H32N2 — CID 2846300

IUPACN-benzyl-N-(2-phenylethyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(N(CCc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C23H32N2/c1-2-16-24-17-14-23(15-18-24)25(20-22-11-7-4-8-12-22)19-13-21-9-5-3-6-10-21/h3-12,23H,2,13-20H2,1H3
InChIKeyNMRZQUUJBDMTEU-UHFFFAOYSA-N
MW336.52 g/mol
LogP4.61
Rot. Bonds8

About N-benzyl-N-(2-phenylethyl)-1-propylpiperidin-4-amine

N-benzyl-N-(2-phenylethyl)-1-propylpiperidin-4-amine (PubChem CID 2846300) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is N-benzyl-N-(2-phenylethyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-(2-phenylethyl)-1-propylpiperidin-4-amine
PubChem CID2846300
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC NameN-benzyl-N-(2-phenylethyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(N(CCc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C23H32N2/c1-2-16-24-17-14-23(15-18-24)25(20-22-11-7-4-8-12-22)19-13-21-9-5-3-6-10-21/h3-12,23H,2,13-20H2,1H3
InChIKeyNMRZQUUJBDMTEU-UHFFFAOYSA-N
XLogP4.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-phenylethyl)-1-propylpiperidin-4-amine?
The IUPAC name of N-benzyl-N-(2-phenylethyl)-1-propylpiperidin-4-amine (CID 2846300) is N-benzyl-N-(2-phenylethyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-benzyl-N-(2-phenylethyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-benzyl-N-(2-phenylethyl)-1-propylpiperidin-4-amine is CCCN1CCC(N(CCc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of N-benzyl-N-(2-phenylethyl)-1-propylpiperidin-4-amine?
The InChIKey is NMRZQUUJBDMTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/c1-2-16-24-17-14-23(15-18-24)25(20-22-11-7-4-8-12-22)19-13-21-9-5-3-6-10-21/h3-12,23H,2,13-20H2,1H3.
What are the key properties of N-benzyl-N-(2-phenylethyl)-1-propylpiperidin-4-amine?
N-benzyl-N-(2-phenylethyl)-1-propylpiperidin-4-amine has a molecular weight of 336.52 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-phenylethyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 2846300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).