2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline

C16H26N2 — CID 115211299

IUPAC2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline
SMILESCc1ccc(NCCC2CCCNC2)c(C)c1C
InChIInChI=1S/C16H26N2/c1-12-6-7-16(14(3)13(12)2)18-10-8-15-5-4-9-17-11-15/h6-7,15,17-18H,4-5,8-11H2,1-3H3
InChIKeyXSMCSCYLLVHIOS-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.41
Rot. Bonds4

About 2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline

2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline (PubChem CID 115211299) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline.

Molecular Properties

Compound Name2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline
PubChem CID115211299
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline
SMILESCc1ccc(NCCC2CCCNC2)c(C)c1C
InChIInChI=1S/C16H26N2/c1-12-6-7-16(14(3)13(12)2)18-10-8-15-5-4-9-17-11-15/h6-7,15,17-18H,4-5,8-11H2,1-3H3
InChIKeyXSMCSCYLLVHIOS-UHFFFAOYSA-N
XLogP3.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine
CID 116925658
2-methylsulfonyl-N-(2-piperidin-3-ylethyl)aniline
CID 55247260
2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248421
5-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63630057
4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211278
3-bromo-N-(2-piperidin-3-ylethyl)pyridin-4-amine
CID 104777475
4-methyl-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629904
N-(2-piperidin-3-ylethyl)-4-propylaniline
CID 115211247
N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63629890
2-methyl-4-(2-piperidin-3-ylethylamino)benzamide
CID 81278418
methyl 2,3-difluoro-4-(2-piperidin-3-ylethylamino)benzoate
CID 79835276
3-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248226

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline?
The IUPAC name of 2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline (CID 115211299) is 2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline.
What is the SMILES notation for 2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline?
The canonical SMILES for 2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline is Cc1ccc(NCCC2CCCNC2)c(C)c1C.
What is the InChIKey of 2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline?
The InChIKey is XSMCSCYLLVHIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-6-7-16(14(3)13(12)2)18-10-8-15-5-4-9-17-11-15/h6-7,15,17-18H,4-5,8-11H2,1-3H3.
What are the key properties of 2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline?
2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline has a molecular weight of 246.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline is sourced from PubChem (CID 115211299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).