3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine

C17H28N2 — CID 103494242

IUPAC3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
SMILESCC(C)C1CCN(C(CCN)c2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-14(2)15-9-12-19(13-10-15)17(8-11-18)16-6-4-3-5-7-16/h3-7,14-15,17H,8-13,18H2,1-2H3
InChIKeyJHLNYXCTMJIGOZ-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.44
Rot. Bonds5

About 3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine

3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine (PubChem CID 103494242) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
PubChem CID103494242
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
SMILESCC(C)C1CCN(C(CCN)c2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-14(2)15-9-12-19(13-10-15)17(8-11-18)16-6-4-3-5-7-16/h3-7,14-15,17H,8-13,18H2,1-2H3
InChIKeyJHLNYXCTMJIGOZ-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine
CID 62780033
3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine
CID 113417035
methyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate
CID 63382677
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103495028
2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494730
3-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-1-amine
CID 63171689
1-(1-phenylbutyl)piperidine-4-carboxylic acid
CID 65056613
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)butan-1-ol
CID 103501712
2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 113416955
3-(2,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine
CID 62779217
ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
CID 106677310
N-phenyl-1-(1-phenylbutyl)piperidin-4-amine
CID 70111366

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine (CID 103494242) is 3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine is CC(C)C1CCN(C(CCN)c2ccccc2)CC1.
What is the InChIKey of 3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
The InChIKey is JHLNYXCTMJIGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)15-9-12-19(13-10-15)17(8-11-18)16-6-4-3-5-7-16/h3-7,14-15,17H,8-13,18H2,1-2H3.
What are the key properties of 3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine has a molecular weight of 260.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 103494242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).