N-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine

C15H24N2 — CID 62439444

IUPACN-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
SMILESCNCc1cccc(CN2CCCC(C)C2)c1
InChIInChI=1S/C15H24N2/c1-13-5-4-8-17(11-13)12-15-7-3-6-14(9-15)10-16-2/h3,6-7,9,13,16H,4-5,8,10-12H2,1-2H3
InChIKeyYZXAFDVWFWREIW-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.64
Rot. Bonds4

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

N-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine (PubChem CID 62439444) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
PubChem CID62439444
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
SMILESCNCc1cccc(CN2CCCC(C)C2)c1
InChIInChI=1S/C15H24N2/c1-13-5-4-8-17(11-13)12-15-7-3-6-14(9-15)10-16-2/h3,6-7,9,13,16H,4-5,8,10-12H2,1-2H3
InChIKeyYZXAFDVWFWREIW-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[3-[(4-methylazepan-1-yl)methyl]phenyl]methanamine
CID 55249216
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
CID 70461714
1-benzyl-3-methylpiperidine
CID 2794856
N-methyl-1-[3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 63167107
3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide
CID 63568661
3-[[4-[(3-methylpiperidin-1-yl)methyl]anilino]methyl]aniline
CID 83960991
1-[(3-bromophenyl)methyl]-N-[[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917484
2-[[3-[(3-methylpiperidin-1-yl)methyl]anilino]methylidene]propanedinitrile
CID 168542292
[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 61224005
1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62420766
1-[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]phenyl]-N-methylmethanamine
CID 102728495
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine (CID 62439444) is N-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine is CNCc1cccc(CN2CCCC(C)C2)c1.
What is the InChIKey of N-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is YZXAFDVWFWREIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-5-4-8-17(11-13)12-15-7-3-6-14(9-15)10-16-2/h3,6-7,9,13,16H,4-5,8,10-12H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine?
N-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 232.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 62439444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).