N-(4-phenylbutyl)-N-propylpiperidin-3-amine

C18H30N2 — CID 114334204

IUPACN-(4-phenylbutyl)-N-propylpiperidin-3-amine
SMILESCCCN(CCCCc1ccccc1)C1CCCNC1
InChIInChI=1S/C18H30N2/c1-2-14-20(18-12-8-13-19-16-18)15-7-6-11-17-9-4-3-5-10-17/h3-5,9-10,18-19H,2,6-8,11-16H2,1H3
InChIKeyFOQXXDIEYKQFFQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.47
Rot. Bonds8

About N-(4-phenylbutyl)-N-propylpiperidin-3-amine

N-(4-phenylbutyl)-N-propylpiperidin-3-amine (PubChem CID 114334204) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-(4-phenylbutyl)-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-(4-phenylbutyl)-N-propylpiperidin-3-amine
PubChem CID114334204
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-(4-phenylbutyl)-N-propylpiperidin-3-amine
SMILESCCCN(CCCCc1ccccc1)C1CCCNC1
InChIInChI=1S/C18H30N2/c1-2-14-20(18-12-8-13-19-16-18)15-7-6-11-17-9-4-3-5-10-17/h3-5,9-10,18-19H,2,6-8,11-16H2,1H3
InChIKeyFOQXXDIEYKQFFQ-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.47
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-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)piperidin-3-amine;hydrochloride
CID 146065183
4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine
CID 106640732
N-propyl-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 55244721
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
N-hept-6-enyl-N-propylpiperidin-3-amine
CID 107008007
N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine
CID 79983628
2-phenyl-3-[piperidin-3-yl(propyl)amino]propanoic acid
CID 64560977
N'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine
CID 114334768
N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine
CID 63637242
N-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine
CID 63636894
N-propyl-N-(quinolin-2-ylmethyl)piperidin-3-amine
CID 63638032

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutyl)-N-propylpiperidin-3-amine?
The IUPAC name of N-(4-phenylbutyl)-N-propylpiperidin-3-amine (CID 114334204) is N-(4-phenylbutyl)-N-propylpiperidin-3-amine.
What is the SMILES notation for N-(4-phenylbutyl)-N-propylpiperidin-3-amine?
The canonical SMILES for N-(4-phenylbutyl)-N-propylpiperidin-3-amine is CCCN(CCCCc1ccccc1)C1CCCNC1.
What is the InChIKey of N-(4-phenylbutyl)-N-propylpiperidin-3-amine?
The InChIKey is FOQXXDIEYKQFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-14-20(18-12-8-13-19-16-18)15-7-6-11-17-9-4-3-5-10-17/h3-5,9-10,18-19H,2,6-8,11-16H2,1H3.
What are the key properties of N-(4-phenylbutyl)-N-propylpiperidin-3-amine?
N-(4-phenylbutyl)-N-propylpiperidin-3-amine has a molecular weight of 274.45 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutyl)-N-propylpiperidin-3-amine is sourced from PubChem (CID 114334204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).