3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine

C15H24N2 — CID 82023207

IUPAC3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine
SMILESCc1ccc(C(CCN)N2CCCCC2)cc1
InChIInChI=1S/C15H24N2/c1-13-5-7-14(8-6-13)15(9-10-16)17-11-3-2-4-12-17/h5-8,15H,2-4,9-12,16H2,1H3
InChIKeyIHPFETHBZCHDMU-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.87
Rot. Bonds4

About 3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine

3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine (PubChem CID 82023207) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine
PubChem CID82023207
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine
SMILESCc1ccc(C(CCN)N2CCCCC2)cc1
InChIInChI=1S/C15H24N2/c1-13-5-7-14(8-6-13)15(9-10-16)17-11-3-2-4-12-17/h5-8,15H,2-4,9-12,16H2,1H3
InChIKeyIHPFETHBZCHDMU-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
3-(4-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 83926312
4-(3-amino-1-pyrrolidin-1-ylpropyl)benzonitrile
CID 83927429
3-(2-methylphenyl)-3-piperidin-1-ylpropan-1-amine
CID 82082601
4-(4-ethylphenyl)-4-pyrrolidin-1-ylbutan-1-amine
CID 112501186
(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 97182151
1-[1-(4-methylphenyl)propyl]piperidin-3-amine
CID 61297923
N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine
CID 110826503
3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine
CID 112509278
2-(4-methylphenyl)-2-piperazin-1-ylethanamine
CID 82079666
4-(2-amino-1-piperidin-1-ylethyl)phenol
CID 16796139
(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 97182150

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of 3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine (CID 82023207) is 3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine is Cc1ccc(C(CCN)N2CCCCC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine?
The InChIKey is IHPFETHBZCHDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-5-7-14(8-6-13)15(9-10-16)17-11-3-2-4-12-17/h5-8,15H,2-4,9-12,16H2,1H3.
What are the key properties of 3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine?
3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 82023207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).