1-[1-(2,5-dimethylphenyl)ethyl]-2-methylpiperidin-4-amine

C16H26N2 — CID 113284244

IUPAC1-[1-(2,5-dimethylphenyl)ethyl]-2-methylpiperidin-4-amine
SMILESCc1ccc(C)c(C(C)N2CCC(N)CC2C)c1
InChIInChI=1S/C16H26N2/c1-11-5-6-12(2)16(9-11)14(4)18-8-7-15(17)10-13(18)3/h5-6,9,13-15H,7-8,10,17H2,1-4H3
InChIKeyNKXAMYBBKDBRDC-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.18
Rot. Bonds2

About 1-[1-(2,5-dimethylphenyl)ethyl]-2-methylpiperidin-4-amine

1-[1-(2,5-dimethylphenyl)ethyl]-2-methylpiperidin-4-amine (PubChem CID 113284244) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylphenyl)ethyl]-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-(2,5-dimethylphenyl)ethyl]-2-methylpiperidin-4-amine
PubChem CID113284244
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[1-(2,5-dimethylphenyl)ethyl]-2-methylpiperidin-4-amine
SMILESCc1ccc(C)c(C(C)N2CCC(N)CC2C)c1
InChIInChI=1S/C16H26N2/c1-11-5-6-12(2)16(9-11)14(4)18-8-7-15(17)10-13(18)3/h5-6,9,13-15H,7-8,10,17H2,1-4H3
InChIKeyNKXAMYBBKDBRDC-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 43130891
[1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 115311550
1-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylpiperidin-4-amine
CID 82970842
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpiperidin-4-amine
CID 115311879
1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 4203254
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpiperidin-4-amine
CID 115311841
4-methyl-2-[1-(2-methylazepan-1-yl)ethyl]phenol
CID 82981091
5-methyl-2-[1-(2-methylpyrrolidin-1-yl)ethyl]phenol
CID 82982334
2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 54977741
1-N-[1-(2,5-dimethylphenyl)ethyl]cyclohexane-1,3-diamine
CID 79459539
N-(cyclopropylmethyl)-1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 81494910
(2,5-dimethylphenyl)-(2-methylcyclopropyl)methanamine
CID 43198556

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylphenyl)ethyl]-2-methylpiperidin-4-amine?
The IUPAC name of 1-[1-(2,5-dimethylphenyl)ethyl]-2-methylpiperidin-4-amine (CID 113284244) is 1-[1-(2,5-dimethylphenyl)ethyl]-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-[1-(2,5-dimethylphenyl)ethyl]-2-methylpiperidin-4-amine?
The canonical SMILES for 1-[1-(2,5-dimethylphenyl)ethyl]-2-methylpiperidin-4-amine is Cc1ccc(C)c(C(C)N2CCC(N)CC2C)c1.
What is the InChIKey of 1-[1-(2,5-dimethylphenyl)ethyl]-2-methylpiperidin-4-amine?
The InChIKey is NKXAMYBBKDBRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11-5-6-12(2)16(9-11)14(4)18-8-7-15(17)10-13(18)3/h5-6,9,13-15H,7-8,10,17H2,1-4H3.
What are the key properties of 1-[1-(2,5-dimethylphenyl)ethyl]-2-methylpiperidin-4-amine?
1-[1-(2,5-dimethylphenyl)ethyl]-2-methylpiperidin-4-amine has a molecular weight of 246.40 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylphenyl)ethyl]-2-methylpiperidin-4-amine is sourced from PubChem (CID 113284244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).