1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine

C24H34N2 — CID 24786198

IUPAC1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine
SMILESc1ccc(CCCCN2CCC(NCCCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H34N2/c1-3-10-22(11-4-1)14-7-8-19-26-20-16-24(17-21-26)25-18-9-15-23-12-5-2-6-13-23/h1-6,10-13,24-25H,7-9,14-21H2
InChIKeyCYJJMXGABNTNFS-UHFFFAOYSA-N
MW350.55 g/mol
LogP4.70
Rot. Bonds10

About 1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine

1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine (PubChem CID 24786198) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine
PubChem CID24786198
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC Name1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine
SMILESc1ccc(CCCCN2CCC(NCCCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H34N2/c1-3-10-22(11-4-1)14-7-8-19-26-20-16-24(17-21-26)25-18-9-15-23-12-5-2-6-13-23/h1-6,10-13,24-25H,7-9,14-21H2
InChIKeyCYJJMXGABNTNFS-UHFFFAOYSA-N
XLogP4.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine
CID 24731541
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
[1-(4-phenylbutyl)piperidin-4-yl]methanamine
CID 69419059
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine
CID 28525953
N-(2-phenylethyl)-1-propylazepan-4-amine
CID 65072843
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780
6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol
CID 103922220

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine?
The IUPAC name of 1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine (CID 24786198) is 1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine?
The canonical SMILES for 1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine is c1ccc(CCCCN2CCC(NCCCc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine?
The InChIKey is CYJJMXGABNTNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2/c1-3-10-22(11-4-1)14-7-8-19-26-20-16-24(17-21-26)25-18-9-15-23-12-5-2-6-13-23/h1-6,10-13,24-25H,7-9,14-21H2.
What are the key properties of 1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine?
1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine has a molecular weight of 350.55 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine is sourced from PubChem (CID 24786198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).