2,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]aniline

C15H24N2 — CID 62655606

IUPAC2,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]aniline
SMILESCc1cccc(NCC2CCCN(C)C2)c1C
InChIInChI=1S/C15H24N2/c1-12-6-4-8-15(13(12)2)16-10-14-7-5-9-17(3)11-14/h4,6,8,14,16H,5,7,9-11H2,1-3H3
InChIKeyMCTCEKGEOVVPJM-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.06
Rot. Bonds3

About 2,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]aniline

2,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]aniline (PubChem CID 62655606) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]aniline.

Molecular Properties

Compound Name2,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]aniline
PubChem CID62655606
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]aniline
SMILESCc1cccc(NCC2CCCN(C)C2)c1C
InChIInChI=1S/C15H24N2/c1-12-6-4-8-15(13(12)2)16-10-14-7-5-9-17(3)11-14/h4,6,8,14,16H,5,7,9-11H2,1-3H3
InChIKeyMCTCEKGEOVVPJM-UHFFFAOYSA-N
XLogP3.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-methyl-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 107629665
N-(cyclobutylmethyl)-2,3-dimethylaniline
CID 65458031
N,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62658463
N-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 62655412
2-fluoro-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62655960
3-methyl-2-[(1-methylpiperidin-3-yl)methylamino]benzonitrile
CID 107106742
1-[2-[(1-methylpiperidin-3-yl)methylamino]phenyl]ethanol
CID 62658137
2-fluoro-6-[(1-methylpiperidin-3-yl)methylamino]benzoic acid
CID 79522921
N-[(1-methylpiperidin-3-yl)methyl]-2-morpholin-4-ylaniline
CID 62659401
3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62656715
6-chloro-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine
CID 114256226
3-fluoro-2-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79612603

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]aniline?
The IUPAC name of 2,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]aniline (CID 62655606) is 2,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]aniline.
What is the SMILES notation for 2,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]aniline?
The canonical SMILES for 2,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]aniline is Cc1cccc(NCC2CCCN(C)C2)c1C.
What is the InChIKey of 2,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]aniline?
The InChIKey is MCTCEKGEOVVPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-6-4-8-15(13(12)2)16-10-14-7-5-9-17(3)11-14/h4,6,8,14,16H,5,7,9-11H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]aniline?
2,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]aniline has a molecular weight of 232.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]aniline is sourced from PubChem (CID 62655606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).