3-(3,4-dimethylphenyl)-2-piperidin-1-ylbutan-1-amine

C17H28N2 — CID 82090320

IUPAC3-(3,4-dimethylphenyl)-2-piperidin-1-ylbutan-1-amine
SMILESCc1ccc(C(C)C(CN)N2CCCCC2)cc1C
InChIInChI=1S/C17H28N2/c1-13-7-8-16(11-14(13)2)15(3)17(12-18)19-9-5-4-6-10-19/h7-8,11,15,17H,4-6,9-10,12,18H2,1-3H3
InChIKeyJARGYWUMRMLFKU-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.22
Rot. Bonds4

About 3-(3,4-dimethylphenyl)-2-piperidin-1-ylbutan-1-amine

3-(3,4-dimethylphenyl)-2-piperidin-1-ylbutan-1-amine (PubChem CID 82090320) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-2-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-2-piperidin-1-ylbutan-1-amine
PubChem CID82090320
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name3-(3,4-dimethylphenyl)-2-piperidin-1-ylbutan-1-amine
SMILESCc1ccc(C(C)C(CN)N2CCCCC2)cc1C
InChIInChI=1S/C17H28N2/c1-13-7-8-16(11-14(13)2)15(3)17(12-18)19-9-5-4-6-10-19/h7-8,11,15,17H,4-6,9-10,12,18H2,1-3H3
InChIKeyJARGYWUMRMLFKU-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol
CID 116860294
2-(3-chloro-4-methylphenyl)-2-piperidin-1-ylethanamine
CID 106817233
2-(azocan-1-yl)-2-(3-chloro-4-methylphenyl)ethanamine
CID 106817246
2-(3,4-dimethylphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 83972701
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965080
2-(azepan-1-yl)-1-(3,4-dimethylphenyl)-2-methylpropan-1-amine
CID 79051219
3-(azepan-1-yl)-1-(3,4-dimethylphenyl)propan-1-amine
CID 82021669
(2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 51624584
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689217
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-2-piperidin-1-ylbutan-1-amine?
The IUPAC name of 3-(3,4-dimethylphenyl)-2-piperidin-1-ylbutan-1-amine (CID 82090320) is 3-(3,4-dimethylphenyl)-2-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-2-piperidin-1-ylbutan-1-amine?
The canonical SMILES for 3-(3,4-dimethylphenyl)-2-piperidin-1-ylbutan-1-amine is Cc1ccc(C(C)C(CN)N2CCCCC2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-2-piperidin-1-ylbutan-1-amine?
The InChIKey is JARGYWUMRMLFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-7-8-16(11-14(13)2)15(3)17(12-18)19-9-5-4-6-10-19/h7-8,11,15,17H,4-6,9-10,12,18H2,1-3H3.
What are the key properties of 3-(3,4-dimethylphenyl)-2-piperidin-1-ylbutan-1-amine?
3-(3,4-dimethylphenyl)-2-piperidin-1-ylbutan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-2-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 82090320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).