2,3-dimethyl-1-(3-propan-2-ylphenyl)-N-propylpiperidin-4-amine

C19H32N2 — CID 79398604

IUPAC2,3-dimethyl-1-(3-propan-2-ylphenyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2cccc(C(C)C)c2)C(C)C1C
InChIInChI=1S/C19H32N2/c1-6-11-20-19-10-12-21(16(5)15(19)4)18-9-7-8-17(13-18)14(2)3/h7-9,13-16,19-20H,6,10-12H2,1-5H3
InChIKeyBXPWOPTXBHHQQL-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.41
Rot. Bonds5

About 2,3-dimethyl-1-(3-propan-2-ylphenyl)-N-propylpiperidin-4-amine

2,3-dimethyl-1-(3-propan-2-ylphenyl)-N-propylpiperidin-4-amine (PubChem CID 79398604) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2,3-dimethyl-1-(3-propan-2-ylphenyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-(3-propan-2-ylphenyl)-N-propylpiperidin-4-amine
PubChem CID79398604
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2,3-dimethyl-1-(3-propan-2-ylphenyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2cccc(C(C)C)c2)C(C)C1C
InChIInChI=1S/C19H32N2/c1-6-11-20-19-10-12-21(16(5)15(19)4)18-9-7-8-17(13-18)14(2)3/h7-9,13-16,19-20H,6,10-12H2,1-5H3
InChIKeyBXPWOPTXBHHQQL-UHFFFAOYSA-N
XLogP4.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine
CID 79397861
1-(4-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79396906
2,3-dimethyl-1-(1-propan-2-ylpyrazol-4-yl)-N-propylpiperidin-4-amine
CID 79408053
1-(4-bromo-3-methoxyphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 82858848
2,3-dimethyl-N-propyl-1-pyrimidin-5-ylpiperidin-4-amine
CID 107588860
1-(2-ethylphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397422
1-(2-chlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397876
1-(2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397280
1-(2,4-dichlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397728
2,3-dimethyl-1-(2-methyl-3-pyridinyl)-N-propylpiperidin-4-amine
CID 79407464
2,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpiperidin-4-amine
CID 79779697
2,3-dimethyl-1-[1-(2-methylphenyl)ethyl]-N-propylpiperidin-4-amine
CID 79413405

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(3-propan-2-ylphenyl)-N-propylpiperidin-4-amine?
The IUPAC name of 2,3-dimethyl-1-(3-propan-2-ylphenyl)-N-propylpiperidin-4-amine (CID 79398604) is 2,3-dimethyl-1-(3-propan-2-ylphenyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 2,3-dimethyl-1-(3-propan-2-ylphenyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 2,3-dimethyl-1-(3-propan-2-ylphenyl)-N-propylpiperidin-4-amine is CCCNC1CCN(c2cccc(C(C)C)c2)C(C)C1C.
What is the InChIKey of 2,3-dimethyl-1-(3-propan-2-ylphenyl)-N-propylpiperidin-4-amine?
The InChIKey is BXPWOPTXBHHQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-11-20-19-10-12-21(16(5)15(19)4)18-9-7-8-17(13-18)14(2)3/h7-9,13-16,19-20H,6,10-12H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-(3-propan-2-ylphenyl)-N-propylpiperidin-4-amine?
2,3-dimethyl-1-(3-propan-2-ylphenyl)-N-propylpiperidin-4-amine has a molecular weight of 288.48 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(3-propan-2-ylphenyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 79398604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).