2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine

C16H26N2 — CID 116936522

IUPAC2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
SMILESCc1ccc(C(N)CC2CCNCC2)c(C)c1C
InChIInChI=1S/C16H26N2/c1-11-4-5-15(13(3)12(11)2)16(17)10-14-6-8-18-9-7-14/h4-5,14,16,18H,6-10,17H2,1-3H3
InChIKeyAKQIFLHENIUZLR-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.00
Rot. Bonds3

About 2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine

2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine (PubChem CID 116936522) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
PubChem CID116936522
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
SMILESCc1ccc(C(N)CC2CCNCC2)c(C)c1C
InChIInChI=1S/C16H26N2/c1-11-4-5-15(13(3)12(11)2)16(17)10-14-6-8-18-9-7-14/h4-5,14,16,18H,6-10,17H2,1-3H3
InChIKeyAKQIFLHENIUZLR-UHFFFAOYSA-N
XLogP3.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine
CID 116936485
2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936414
piperidin-4-yl-(2,3,4-trimethylphenyl)methanamine
CID 116935917
N-methyl-2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116951835
2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine
CID 116941716
3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine
CID 116937424
1-(3-methylthiophen-2-yl)-2-piperidin-4-ylethanamine
CID 116936534
1-(4-methoxy-2,5-dimethylphenyl)-2-piperidin-4-ylethanamine
CID 116936466
(1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 131568971
1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine
CID 116936143
4-[(2,3,4-trimethylphenyl)methyl]piperidine
CID 116925401
1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116855521

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine?
The IUPAC name of 2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine (CID 116936522) is 2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine?
The canonical SMILES for 2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine is Cc1ccc(C(N)CC2CCNCC2)c(C)c1C.
What is the InChIKey of 2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine?
The InChIKey is AKQIFLHENIUZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11-4-5-15(13(3)12(11)2)16(17)10-14-6-8-18-9-7-14/h4-5,14,16,18H,6-10,17H2,1-3H3.
What are the key properties of 2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine?
2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine is sourced from PubChem (CID 116936522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).