N-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine

C26H38N2 — CID 24857477

IUPACN-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine
SMILESCCCCN(CCCc1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C26H38N2/c1-2-3-19-28(20-10-15-24-11-6-4-7-12-24)26-17-22-27(23-18-26)21-16-25-13-8-5-9-14-25/h4-9,11-14,26H,2-3,10,15-23H2,1H3
InChIKeyWGFCUGQJIOFVIU-UHFFFAOYSA-N
MW378.60 g/mol
LogP5.43
Rot. Bonds11

About N-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine

N-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine (PubChem CID 24857477) has the molecular formula C26H38N2 and a molecular weight of 378.60 g/mol. Its IUPAC name is N-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine
PubChem CID24857477
Molecular FormulaC26H38N2
Molecular Weight378.60 g/mol
Exact Mass378.30
IUPAC NameN-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine
SMILESCCCCN(CCCc1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C26H38N2/c1-2-3-19-28(20-10-15-24-11-6-4-7-12-24)26-17-22-27(23-18-26)21-16-25-13-8-5-9-14-25/h4-9,11-14,26H,2-3,10,15-23H2,1H3
InChIKeyWGFCUGQJIOFVIU-UHFFFAOYSA-N
XLogP5.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine
CID 2057989
1-benzyl-N,N-dibutylpiperidin-4-amine
CID 102272076
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
N-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)piperidin-3-amine;hydrochloride
CID 146065183
3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 60838690
1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine
CID 72735441
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine?
The IUPAC name of N-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine (CID 24857477) is N-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine.
What is the SMILES notation for N-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine?
The canonical SMILES for N-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine is CCCCN(CCCc1ccccc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine?
The InChIKey is WGFCUGQJIOFVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2/c1-2-3-19-28(20-10-15-24-11-6-4-7-12-24)26-17-22-27(23-18-26)21-16-25-13-8-5-9-14-25/h4-9,11-14,26H,2-3,10,15-23H2,1H3.
What are the key properties of N-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine?
N-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine has a molecular weight of 378.60 g/mol, XLogP of 5.43, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine is sourced from PubChem (CID 24857477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).