2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine

C16H26N2 — CID 82295585

IUPAC2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)CN2CCCCC2)cc1C
InChIInChI=1S/C16H26N2/c1-12-9-14(3)15(10-13(12)2)16(17)11-18-7-5-4-6-8-18/h9-10,16H,4-8,11,17H2,1-3H3
InChIKeyJFLHMFKMJCCUSC-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.10
Rot. Bonds3

About 2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine

2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 82295585) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID82295585
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)CN2CCCCC2)cc1C
InChIInChI=1S/C16H26N2/c1-12-9-14(3)15(10-13(12)2)16(17)11-18-7-5-4-6-8-18/h9-10,16H,4-8,11,17H2,1-3H3
InChIKeyJFLHMFKMJCCUSC-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643538
2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 16787615
1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-1-ylethanamine
CID 82303036
2-[1-amino-2-(azepan-1-yl)ethyl]phenol
CID 117243601
2-(azetidin-1-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 130699391
1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol
CID 82122257
2-chloro-1-(2,4,5-trimethylphenyl)ethanamine
CID 116937565
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62200913
2-(azetidin-1-yl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 175078061
2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16643631
3-(azepan-1-yl)-1-(3,4-dimethylphenyl)propan-1-amine
CID 82021669

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of 2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine (CID 82295585) is 2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for 2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine is Cc1cc(C)c(C(N)CN2CCCCC2)cc1C.
What is the InChIKey of 2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is JFLHMFKMJCCUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-9-14(3)15(10-13(12)2)16(17)11-18-7-5-4-6-8-18/h9-10,16H,4-8,11,17H2,1-3H3.
What are the key properties of 2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine?
2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 82295585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).