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

C17H28N2 — CID 43206638

IUPACN-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine
SMILESCCC(NC1CCN(C(C)C)CC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-4-17(15-8-6-5-7-9-15)18-16-10-12-19(13-11-16)14(2)3/h5-9,14,16-18H,4,10-13H2,1-3H3
InChIKeyMFCFJUWXUAZMMD-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.60
Rot. Bonds5

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

N-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 43206638) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID43206638
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine
SMILESCCC(NC1CCN(C(C)C)CC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-4-17(15-8-6-5-7-9-15)18-16-10-12-19(13-11-16)14(2)3/h5-9,14,16-18H,4,10-13H2,1-3H3
InChIKeyMFCFJUWXUAZMMD-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine
CID 43182970
4-ethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 55194080
1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61206975
N-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 96531141
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
N-(1-phenylpropyl)oxetan-3-amine
CID 63624948
2-[[1-(4-aminobutan-2-yl)piperidin-4-yl]amino]-2-phenylethanol
CID 68776969
1-ethyl-N-(1-phenylbutyl)piperidin-4-amine
CID 43224635
3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 103784503
N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 119109266
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine (CID 43206638) is N-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine is CCC(NC1CCN(C(C)C)CC1)c1ccccc1.
What is the InChIKey of N-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is MFCFJUWXUAZMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-17(15-8-6-5-7-9-15)18-16-10-12-19(13-11-16)14(2)3/h5-9,14,16-18H,4,10-13H2,1-3H3.
What are the key properties of N-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine?
N-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 43206638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).