2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline

C16H26N2 — CID 54807933

IUPAC2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline
SMILESCc1ccc(C)c(NCCN2CCC(C)CC2)c1
InChIInChI=1S/C16H26N2/c1-13-6-9-18(10-7-13)11-8-17-16-12-14(2)4-5-15(16)3/h4-5,12-13,17H,6-11H2,1-3H3
InChIKeyLZYFJZZXWALBCV-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.45
Rot. Bonds4

About 2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline

2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline (PubChem CID 54807933) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline
PubChem CID54807933
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline
SMILESCc1ccc(C)c(NCCN2CCC(C)CC2)c1
InChIInChI=1S/C16H26N2/c1-13-6-9-18(10-7-13)11-8-17-16-12-14(2)4-5-15(16)3/h4-5,12-13,17H,6-11H2,1-3H3
InChIKeyLZYFJZZXWALBCV-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-N-[2-(4-methylpiperidin-1-yl)ethyl]benzene-1,4-diamine
CID 61240847
N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154390
4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 63626139
2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline
CID 54806883
5-amino-2-[2-(4-methylpiperidin-1-yl)ethylamino]phenol
CID 142890139
2-fluoro-5-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 107911386
1-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 82021677
2-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)aniline
CID 107303497
1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine
CID 40804379
4-fluoro-5-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-nitroaniline
CID 103591567
2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962534
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2,5-dimethylaniline
CID 54806518

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline?
The IUPAC name of 2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline (CID 54807933) is 2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline.
What is the SMILES notation for 2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline?
The canonical SMILES for 2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline is Cc1ccc(C)c(NCCN2CCC(C)CC2)c1.
What is the InChIKey of 2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline?
The InChIKey is LZYFJZZXWALBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-6-9-18(10-7-13)11-8-17-16-12-14(2)4-5-15(16)3/h4-5,12-13,17H,6-11H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline?
2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline is sourced from PubChem (CID 54807933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).