1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine

C17H28N2 — CID 103495028

IUPAC1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
SMILESCC(C)C1CCN(C(C)C(N)c2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-13(2)15-9-11-19(12-10-15)14(3)17(18)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12,18H2,1-3H3
InChIKeyYMWZRWXUDYTVNF-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.44
Rot. Bonds4

About 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine

1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine (PubChem CID 103495028) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
PubChem CID103495028
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
SMILESCC(C)C1CCN(C(C)C(N)c2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-13(2)15-9-11-19(12-10-15)14(3)17(18)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12,18H2,1-3H3
InChIKeyYMWZRWXUDYTVNF-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 16781161
2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine
CID 16786190
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-amine
CID 113335651
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-amine
CID 64569900
3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103494242
2-(2-ethylmorpholin-4-yl)-1-phenylpropan-1-amine
CID 43562634
2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetohydrazide
CID 103503815
ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
CID 106677310
1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine
CID 103505314
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)butan-1-ol
CID 103501712
4-methyl-1-(3-phenylbutan-2-yl)piperidine
CID 176713457
2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine
CID 61226976

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine (CID 103495028) is 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine is CC(C)C1CCN(C(C)C(N)c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
The InChIKey is YMWZRWXUDYTVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)15-9-11-19(12-10-15)14(3)17(18)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12,18H2,1-3H3.
What are the key properties of 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 103495028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).