1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine

C15H24N2 — CID 63785750

IUPAC1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1N1CCCC(C)C1
InChIInChI=1S/C15H24N2/c1-12-6-5-9-17(11-12)15-8-4-3-7-14(15)10-13(2)16/h3-4,7-8,12-13H,5-6,9-11,16H2,1-2H3
InChIKeyFOYKQMGQVJKFST-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.81
Rot. Bonds3

About 1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine

1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine (PubChem CID 63785750) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
PubChem CID63785750
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1N1CCCC(C)C1
InChIInChI=1S/C15H24N2/c1-12-6-5-9-17(11-12)15-8-4-3-7-14(15)10-13(2)16/h3-4,7-8,12-13H,5-6,9-11,16H2,1-2H3
InChIKeyFOYKQMGQVJKFST-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine
CID 79924766
1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 81165910
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-2-amine
CID 63817266
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CID 63786246
1-[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-2-amine
CID 103540626
1-(2-thiomorpholin-4-ylphenyl)propan-2-amine
CID 63787448
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]propan-2-amine
CID 63794357
1-[2-(3-methylpiperidin-1-yl)phenyl]propan-1-ol
CID 112678761
1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 61224430
2-methyl-3-(3-methylpiperidin-1-yl)aniline
CID 63076229
1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]butan-2-amine
CID 63794140
1-(2-pyrrolidin-1-ylphenyl)butan-2-amine
CID 63787070

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine (CID 63785750) is 1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine is CC(N)Cc1ccccc1N1CCCC(C)C1.
What is the InChIKey of 1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine?
The InChIKey is FOYKQMGQVJKFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-6-5-9-17(11-12)15-8-4-3-7-14(15)10-13(2)16/h3-4,7-8,12-13H,5-6,9-11,16H2,1-2H3.
What are the key properties of 1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine?
1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine has a molecular weight of 232.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 63785750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).