N-methyl-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]aniline

C15H25N3 — CID 145463368

IUPACN-methyl-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]aniline
SMILESCNCCN1CCC(c2cccc(NC)c2)CC1
InChIInChI=1S/C15H25N3/c1-16-8-11-18-9-6-13(7-10-18)14-4-3-5-15(12-14)17-2/h3-5,12-13,16-17H,6-11H2,1-2H3
InChIKeyQFQOZFFWHRQENY-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.13
Rot. Bonds5

About N-methyl-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]aniline

N-methyl-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]aniline (PubChem CID 145463368) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-methyl-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]aniline.

Molecular Properties

Compound NameN-methyl-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]aniline
PubChem CID145463368
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-methyl-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]aniline
SMILESCNCCN1CCC(c2cccc(NC)c2)CC1
InChIInChI=1S/C15H25N3/c1-16-8-11-18-9-6-13(7-10-18)14-4-3-5-15(12-14)17-2/h3-5,12-13,16-17H,6-11H2,1-2H3
InChIKeyQFQOZFFWHRQENY-UHFFFAOYSA-N
XLogP2.13
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-N-methylaniline
CID 116962420
2-[4-(3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine
CID 58730699
N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 16757469
N-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]aniline
CID 71219351
ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine
CID 144545946
(1R,2R)-1-[4-[[4-[3-(methylamino)phenyl]piperidin-1-yl]methyl]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-ol
CID 155107646
4-[3-[3-(3-chlorophenyl)pyrrolidin-1-yl]propoxy]-N-methylaniline;ethane
CID 164906429
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-chloroaniline
CID 63501829
3-bromo-N-[2-(4-tert-butylpiperidin-1-yl)ethyl]aniline
CID 63502175
1-(2-methoxyethyl)-4-(3-methylphenyl)piperidine
CID 163612835
1-butyl-4-(3-fluorophenyl)piperidine
CID 174904971
2-[4-(2-benzyl-7-methyl-3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine
CID 58730853

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]aniline?
The IUPAC name of N-methyl-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]aniline (CID 145463368) is N-methyl-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]aniline.
What is the SMILES notation for N-methyl-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]aniline?
The canonical SMILES for N-methyl-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]aniline is CNCCN1CCC(c2cccc(NC)c2)CC1.
What is the InChIKey of N-methyl-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]aniline?
The InChIKey is QFQOZFFWHRQENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-16-8-11-18-9-6-13(7-10-18)14-4-3-5-15(12-14)17-2/h3-5,12-13,16-17H,6-11H2,1-2H3.
What are the key properties of N-methyl-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]aniline?
N-methyl-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]aniline has a molecular weight of 247.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]aniline is sourced from PubChem (CID 145463368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).