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

C14H22N2 — CID 116925958

IUPACN-methyl-3-[(1-methylpiperidin-3-yl)methyl]aniline
SMILESCNc1cccc(CC2CCCN(C)C2)c1
InChIInChI=1S/C14H22N2/c1-15-14-7-3-5-12(10-14)9-13-6-4-8-16(2)11-13/h3,5,7,10,13,15H,4,6,8-9,11H2,1-2H3
InChIKeyGRSFZFKVARUFLX-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.61
Rot. Bonds3

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

N-methyl-3-[(1-methylpiperidin-3-yl)methyl]aniline (PubChem CID 116925958) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-methyl-3-[(1-methylpiperidin-3-yl)methyl]aniline.

Molecular Properties

Compound NameN-methyl-3-[(1-methylpiperidin-3-yl)methyl]aniline
PubChem CID116925958
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-methyl-3-[(1-methylpiperidin-3-yl)methyl]aniline
SMILESCNc1cccc(CC2CCCN(C)C2)c1
InChIInChI=1S/C14H22N2/c1-15-14-7-3-5-12(10-14)9-13-6-4-8-16(2)11-13/h3,5,7,10,13,15H,4,6,8-9,11H2,1-2H3
InChIKeyGRSFZFKVARUFLX-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(oxan-4-ylmethyl)aniline
CID 116925951
N-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]aniline
CID 71219351
ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine
CID 153329606
3-[(cyclobutylmethylamino)methyl]-N-methylaniline
CID 115212230
4-benzyl-1-methylazepane
CID 123177845
1-[3-[(1-methylpyrrolidin-3-yl)methyl]phenyl]ethanone
CID 105471558
7a-cyclohexyl-4-fluoro-7-methyl-N-[3-[(1-methylpiperidin-3-yl)methyl]phenyl]-1,2,3,3a,4,5,6,7-octahydroindole-2-carboxamide
CID 146643762
3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43672047
N-[[3-(aminomethyl)phenyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine
CID 115213074
3-[(3-chlorophenyl)methyl]-1-methylazetidine
CID 155020955
N-methyl-3-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]aniline
CID 116871192
2-bromo-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine
CID 124641722

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(1-methylpiperidin-3-yl)methyl]aniline?
The IUPAC name of N-methyl-3-[(1-methylpiperidin-3-yl)methyl]aniline (CID 116925958) is N-methyl-3-[(1-methylpiperidin-3-yl)methyl]aniline.
What is the SMILES notation for N-methyl-3-[(1-methylpiperidin-3-yl)methyl]aniline?
The canonical SMILES for N-methyl-3-[(1-methylpiperidin-3-yl)methyl]aniline is CNc1cccc(CC2CCCN(C)C2)c1.
What is the InChIKey of N-methyl-3-[(1-methylpiperidin-3-yl)methyl]aniline?
The InChIKey is GRSFZFKVARUFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-15-14-7-3-5-12(10-14)9-13-6-4-8-16(2)11-13/h3,5,7,10,13,15H,4,6,8-9,11H2,1-2H3.
What are the key properties of N-methyl-3-[(1-methylpiperidin-3-yl)methyl]aniline?
N-methyl-3-[(1-methylpiperidin-3-yl)methyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(1-methylpiperidin-3-yl)methyl]aniline is sourced from PubChem (CID 116925958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).