N-methyl-1-(4-methylphenyl)-N-[(2-methylpiperidin-2-yl)methyl]methanamine

C16H26N2 — CID 104594732

IUPACN-methyl-1-(4-methylphenyl)-N-[(2-methylpiperidin-2-yl)methyl]methanamine
SMILESCc1ccc(CN(C)CC2(C)CCCCN2)cc1
InChIInChI=1S/C16H26N2/c1-14-6-8-15(9-7-14)12-18(3)13-16(2)10-4-5-11-17-16/h6-9,17H,4-5,10-13H2,1-3H3
InChIKeyVYHCSIUIETZEAM-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.96
Rot. Bonds4

About N-methyl-1-(4-methylphenyl)-N-[(2-methylpiperidin-2-yl)methyl]methanamine

N-methyl-1-(4-methylphenyl)-N-[(2-methylpiperidin-2-yl)methyl]methanamine (PubChem CID 104594732) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-N-[(2-methylpiperidin-2-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-N-[(2-methylpiperidin-2-yl)methyl]methanamine
PubChem CID104594732
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-methyl-1-(4-methylphenyl)-N-[(2-methylpiperidin-2-yl)methyl]methanamine
SMILESCc1ccc(CN(C)CC2(C)CCCCN2)cc1
InChIInChI=1S/C16H26N2/c1-14-6-8-15(9-7-14)12-18(3)13-16(2)10-4-5-11-17-16/h6-9,17H,4-5,10-13H2,1-3H3
InChIKeyVYHCSIUIETZEAM-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]methanamine
CID 104594891
1-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclopropan-1-amine
CID 65460243
N,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine
CID 104595090
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 65009839
N-methyl-N-[(2-methylpiperidin-2-yl)methyl]propan-2-amine
CID 104594706
2-[(2-methylpiperidin-2-yl)methyl]-1,3-dihydroisoindole
CID 104595002
1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine
CID 55165098
2-ethyl-2-[(4-methylphenyl)methyl]piperidine
CID 115058967
N-methyl-1-(4-methylphenyl)-N-(piperazin-1-ylmethyl)methanamine
CID 115230053
1-(4-chlorophenyl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]ethanamine
CID 104595035
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 62392345
(2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine
CID 124511306

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-N-[(2-methylpiperidin-2-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-N-[(2-methylpiperidin-2-yl)methyl]methanamine (CID 104594732) is N-methyl-1-(4-methylphenyl)-N-[(2-methylpiperidin-2-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-N-[(2-methylpiperidin-2-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-N-[(2-methylpiperidin-2-yl)methyl]methanamine is Cc1ccc(CN(C)CC2(C)CCCCN2)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-N-[(2-methylpiperidin-2-yl)methyl]methanamine?
The InChIKey is VYHCSIUIETZEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14-6-8-15(9-7-14)12-18(3)13-16(2)10-4-5-11-17-16/h6-9,17H,4-5,10-13H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-N-[(2-methylpiperidin-2-yl)methyl]methanamine?
N-methyl-1-(4-methylphenyl)-N-[(2-methylpiperidin-2-yl)methyl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-N-[(2-methylpiperidin-2-yl)methyl]methanamine is sourced from PubChem (CID 104594732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).