1-[2-(2,5-dimethylpiperidin-1-yl)-5-methylphenyl]-N-methylmethanamine

C16H26N2 — CID 114055090

IUPAC1-[2-(2,5-dimethylpiperidin-1-yl)-5-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)ccc1N1CC(C)CCC1C
InChIInChI=1S/C16H26N2/c1-12-6-8-16(15(9-12)10-17-4)18-11-13(2)5-7-14(18)3/h6,8-9,13-14,17H,5,7,10-11H2,1-4H3
InChIKeyORJMSQDCPUNXEL-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.34
Rot. Bonds3

About 1-[2-(2,5-dimethylpiperidin-1-yl)-5-methylphenyl]-N-methylmethanamine

1-[2-(2,5-dimethylpiperidin-1-yl)-5-methylphenyl]-N-methylmethanamine (PubChem CID 114055090) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylpiperidin-1-yl)-5-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,5-dimethylpiperidin-1-yl)-5-methylphenyl]-N-methylmethanamine
PubChem CID114055090
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[2-(2,5-dimethylpiperidin-1-yl)-5-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)ccc1N1CC(C)CCC1C
InChIInChI=1S/C16H26N2/c1-12-6-8-16(15(9-12)10-17-4)18-11-13(2)5-7-14(18)3/h6,8-9,13-14,17H,5,7,10-11H2,1-4H3
InChIKeyORJMSQDCPUNXEL-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,6-dimethylthiomorpholin-4-yl)-5-methylphenyl]-N-methylmethanamine
CID 114055079
1-[2-(bromomethyl)-4-chlorophenyl]-2,5-dimethylpiperidine
CID 107084249
[5-bromo-2-(2,5-dimethylpiperidin-1-yl)phenyl]methanol
CID 114061417
N-[[5-methyl-2-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114054867
[1-[4-methyl-2-(methylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 114054998
N-[[4-chloro-2-(2,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114852030
N-[[4-(2,5-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81247735
[5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol
CID 114054514
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
1-[2-(ethylaminomethyl)-4-methylphenyl]pyrrolidin-3-ol
CID 114055065
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,5-dimethylpiperidine
CID 107084241
2-(5-ethyl-2-methylpiperidin-1-yl)-4-methylaniline
CID 114286431

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylpiperidin-1-yl)-5-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,5-dimethylpiperidin-1-yl)-5-methylphenyl]-N-methylmethanamine (CID 114055090) is 1-[2-(2,5-dimethylpiperidin-1-yl)-5-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,5-dimethylpiperidin-1-yl)-5-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,5-dimethylpiperidin-1-yl)-5-methylphenyl]-N-methylmethanamine is CNCc1cc(C)ccc1N1CC(C)CCC1C.
What is the InChIKey of 1-[2-(2,5-dimethylpiperidin-1-yl)-5-methylphenyl]-N-methylmethanamine?
The InChIKey is ORJMSQDCPUNXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-6-8-16(15(9-12)10-17-4)18-11-13(2)5-7-14(18)3/h6,8-9,13-14,17H,5,7,10-11H2,1-4H3.
What are the key properties of 1-[2-(2,5-dimethylpiperidin-1-yl)-5-methylphenyl]-N-methylmethanamine?
1-[2-(2,5-dimethylpiperidin-1-yl)-5-methylphenyl]-N-methylmethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylpiperidin-1-yl)-5-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 114055090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).