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

C16H26N2 — CID 116936414

IUPAC2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine
SMILESCc1ccc(C(N)CC2CCCNC2)c(C)c1C
InChIInChI=1S/C16H26N2/c1-11-6-7-15(13(3)12(11)2)16(17)9-14-5-4-8-18-10-14/h6-7,14,16,18H,4-5,8-10,17H2,1-3H3
InChIKeyISAIMPCMFUFCKQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.00
Rot. Bonds3

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

2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine (PubChem CID 116936414) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine
PubChem CID116936414
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine
SMILESCc1ccc(C(N)CC2CCCNC2)c(C)c1C
InChIInChI=1S/C16H26N2/c1-11-6-7-15(13(3)12(11)2)16(17)9-14-5-4-8-18-10-14/h6-7,14,16,18H,4-5,8-10,17H2,1-3H3
InChIKeyISAIMPCMFUFCKQ-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

2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936522
1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine
CID 116936357
1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
CID 116936426
3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine
CID 116925658
1-(4-chlorophenyl)-2-piperidin-3-ylethanamine
CID 116936332
2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211299
1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine
CID 116936143
1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine
CID 116936485
1-(2-methylphenyl)-2-piperidin-3-ylethanol
CID 84685007
2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine
CID 116941716
1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine
CID 116936338
2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107515963

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine?
The IUPAC name of 2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine (CID 116936414) is 2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine?
The canonical SMILES for 2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine is Cc1ccc(C(N)CC2CCCNC2)c(C)c1C.
What is the InChIKey of 2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine?
The InChIKey is ISAIMPCMFUFCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11-6-7-15(13(3)12(11)2)16(17)9-14-5-4-8-18-10-14/h6-7,14,16,18H,4-5,8-10,17H2,1-3H3.
What are the key properties of 2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine?
2-piperidin-3-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-3-yl-1-(2,3,4-trimethylphenyl)ethanamine is sourced from PubChem (CID 116936414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).