N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline

C14H22N2 — CID 83960897

IUPACN-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline
SMILESCNc1ccc(CN2CCC(C)CC2)cc1
InChIInChI=1S/C14H22N2/c1-12-7-9-16(10-8-12)11-13-3-5-14(15-2)6-4-13/h3-6,12,15H,7-11H2,1-2H3
InChIKeyCSSVTJHAVPPMIA-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.96
Rot. Bonds3

About N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline

N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline (PubChem CID 83960897) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline
PubChem CID83960897
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline
SMILESCNc1ccc(CN2CCC(C)CC2)cc1
InChIInChI=1S/C14H22N2/c1-12-7-9-16(10-8-12)11-13-3-5-14(15-2)6-4-13/h3-6,12,15H,7-11H2,1-2H3
InChIKeyCSSVTJHAVPPMIA-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987
2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 120703837
5-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pentan-1-ol
CID 83960901
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
1-[(4-ethenylphenyl)methyl]-4-methylpiperidine
CID 89299852
ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine
CID 145130487
4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline
CID 116991205
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
CID 108760674
4-[(4-methylpiperidin-1-yl)methyl]benzenesulfonic acid
CID 94830309

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline?
The IUPAC name of N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline (CID 83960897) is N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline.
What is the SMILES notation for N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline?
The canonical SMILES for N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline is CNc1ccc(CN2CCC(C)CC2)cc1.
What is the InChIKey of N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline?
The InChIKey is CSSVTJHAVPPMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-7-9-16(10-8-12)11-13-3-5-14(15-2)6-4-13/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline?
N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline is sourced from PubChem (CID 83960897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).