N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine

C18H30N2 — CID 43182970

IUPACN-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine
SMILESCCCC(NC1CCN(C(C)C)CC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-4-8-18(16-9-6-5-7-10-16)19-17-11-13-20(14-12-17)15(2)3/h5-7,9-10,15,17-19H,4,8,11-14H2,1-3H3
InChIKeyJATHQFJZUHTDEI-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.99
Rot. Bonds6

About N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine

N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 43182970) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID43182970
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine
SMILESCCCC(NC1CCN(C(C)C)CC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-4-8-18(16-9-6-5-7-10-16)19-17-11-13-20(14-12-17)15(2)3/h5-7,9-10,15,17-19H,4,8,11-14H2,1-3H3
InChIKeyJATHQFJZUHTDEI-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 43206638
1-ethyl-N-(1-phenylbutyl)piperidin-4-amine
CID 43224635
1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone
CID 43224633
4-(1-phenylbutylamino)piperidine-1-carboxamide
CID 43785944
N-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine
CID 103561357
2-[[1-(4-aminobutan-2-yl)piperidin-4-yl]amino]-2-phenylethanol
CID 68776969
1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61206975
4-methyl-N-(1-phenylpentyl)cyclohexan-1-amine
CID 43761510
N-(1-phenylpentyl)cycloheptanamine
CID 43767069
N-(1-phenylbutyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43195150
1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine
CID 43216052
(2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol
CID 103783988

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine (CID 43182970) is N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine is CCCC(NC1CCN(C(C)C)CC1)c1ccccc1.
What is the InChIKey of N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is JATHQFJZUHTDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-8-18(16-9-6-5-7-10-16)19-17-11-13-20(14-12-17)15(2)3/h5-7,9-10,15,17-19H,4,8,11-14H2,1-3H3.
What are the key properties of N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine?
N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 274.45 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 43182970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).