N-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine

C22H30N2 — CID 118109364

IUPACN-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine
SMILESc1ccc(CCCN(CCc2ccccc2)C2CCNCC2)cc1
InChIInChI=1S/C22H30N2/c1-3-8-20(9-4-1)12-7-18-24(22-13-16-23-17-14-22)19-15-21-10-5-2-6-11-21/h1-6,8-11,22-23H,7,12-19H2
InChIKeyNFLRMUJRRYIXND-UHFFFAOYSA-N
MW322.50 g/mol
LogP3.92
Rot. Bonds8

About N-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine

N-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine (PubChem CID 118109364) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is N-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine
PubChem CID118109364
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC NameN-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine
SMILESc1ccc(CCCN(CCc2ccccc2)C2CCNCC2)cc1
InChIInChI=1S/C22H30N2/c1-3-8-20(9-4-1)12-7-18-24(22-13-16-23-17-14-22)19-15-21-10-5-2-6-11-21/h1-6,8-11,22-23H,7,12-19H2
InChIKeyNFLRMUJRRYIXND-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine?
The IUPAC name of N-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine (CID 118109364) is N-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine.
What is the SMILES notation for N-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine?
The canonical SMILES for N-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine is c1ccc(CCCN(CCc2ccccc2)C2CCNCC2)cc1.
What is the InChIKey of N-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine?
The InChIKey is NFLRMUJRRYIXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-3-8-20(9-4-1)12-7-18-24(22-13-16-23-17-14-22)19-15-21-10-5-2-6-11-21/h1-6,8-11,22-23H,7,12-19H2.
What are the key properties of N-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine?
N-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine has a molecular weight of 322.50 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine is sourced from PubChem (CID 118109364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).