N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine

C16H26N2 — CID 106623795

IUPACN-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
SMILESCc1cc(C)cc(CN(C)CC2CCCNC2)c1
InChIInChI=1S/C16H26N2/c1-13-7-14(2)9-16(8-13)12-18(3)11-15-5-4-6-17-10-15/h7-9,15,17H,4-6,10-12H2,1-3H3
InChIKeyXWVGHLIZOXLVQK-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.73
Rot. Bonds4

About N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine

N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine (PubChem CID 106623795) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
PubChem CID106623795
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
SMILESCc1cc(C)cc(CN(C)CC2CCCNC2)c1
InChIInChI=1S/C16H26N2/c1-13-7-14(2)9-16(8-13)12-18(3)11-15-5-4-6-17-10-15/h7-9,15,17H,4-6,10-12H2,1-3H3
InChIKeyXWVGHLIZOXLVQK-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(5-methyl-3-pyridinyl)methyl]-1-piperidin-3-ylmethanamine
CID 106636365
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624936
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120850156
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-[(3S)-piperidin-3-yl]methanamine
CID 97164520
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 71642200
2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107692165
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623709
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815655
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 104870292
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005
N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 119930674

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine (CID 106623795) is N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine is Cc1cc(C)cc(CN(C)CC2CCCNC2)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The InChIKey is XWVGHLIZOXLVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-7-14(2)9-16(8-13)12-18(3)11-15-5-4-6-17-10-15/h7-9,15,17H,4-6,10-12H2,1-3H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 106623795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).