2-(2,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine

C16H26N2 — CID 62331932

IUPAC2-(2,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(CN)N1CCC(C)CC1C
InChIInChI=1S/C16H26N2/c1-12-8-9-18(14(3)10-12)16(11-17)15-7-5-4-6-13(15)2/h4-7,12,14,16H,8-11,17H2,1-3H3
InChIKeyBRYWYXXKKUHKRF-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.12
Rot. Bonds3

About 2-(2,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine

2-(2,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine (PubChem CID 62331932) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine
PubChem CID62331932
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(2,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(CN)N1CCC(C)CC1C
InChIInChI=1S/C16H26N2/c1-12-8-9-18(14(3)10-12)16(11-17)15-7-5-4-6-13(15)2/h4-7,12,14,16H,8-11,17H2,1-3H3
InChIKeyBRYWYXXKKUHKRF-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclizine
CID 6726
1-Benzyl-1,2,3,4-Tetrahydroisoquinoline
CID 98468
1-Benzylpiperazine
CID 75994
Cyclizine Hydrochloride
CID 6420019
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
Benzhydrylpiperazine
CID 70048
1-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 92214
Norbenzphetamine
CID 102554
3-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 568974
1-Benzyl-4-methyl-piperazine
CID 763557
N-Benzylamphetamine
CID 10149140
Bis(alpha-methylbenzyl)amine
CID 24804

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine (CID 62331932) is 2-(2,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine is Cc1ccccc1C(CN)N1CCC(C)CC1C.
What is the InChIKey of 2-(2,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine?
The InChIKey is BRYWYXXKKUHKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-8-9-18(14(3)10-12)16(11-17)15-7-5-4-6-13(15)2/h4-7,12,14,16H,8-11,17H2,1-3H3.
What are the key properties of 2-(2,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine?
2-(2,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 62331932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).