N-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine

C15H24N2 — CID 61211231

IUPACN-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine
SMILESCc1ccc(CNC2CCCN(C)C2)cc1C
InChIInChI=1S/C15H24N2/c1-12-6-7-14(9-13(12)2)10-16-15-5-4-8-17(3)11-15/h6-7,9,15-16H,4-5,8,10-11H2,1-3H3
InChIKeyGWELBFACDNZERA-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.49
Rot. Bonds3

About N-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine

N-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine (PubChem CID 61211231) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine
PubChem CID61211231
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine
SMILESCc1ccc(CNC2CCCN(C)C2)cc1C
InChIInChI=1S/C15H24N2/c1-12-6-7-14(9-13(12)2)10-16-15-5-4-8-17(3)11-15/h6-7,9,15-16H,4-5,8,10-11H2,1-3H3
InChIKeyGWELBFACDNZERA-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-(naphthalen-2-ylmethyl)piperidin-3-amine
CID 61211389
N-[(2,5-dimethylphenyl)methyl]-1-methylpiperidin-3-amine
CID 54971762
N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine
CID 61210462
N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine
CID 61212892
1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine
CID 66400036
N-[(3,4-dimethylphenyl)methyl]-1,1-dioxothian-3-amine
CID 63924284
1-methyl-N-[(4-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 54949774
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 61212894
1-methyl-N-[(3-methyl-4-pyridinyl)methyl]piperidin-3-amine
CID 114699054
N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine
CID 83706075
N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 106816236
(3R)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-methylpiperidin-3-amine
CID 95582573

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine (CID 61211231) is N-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine is Cc1ccc(CNC2CCCN(C)C2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine?
The InChIKey is GWELBFACDNZERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-6-7-14(9-13(12)2)10-16-15-5-4-8-17(3)11-15/h6-7,9,15-16H,4-5,8,10-11H2,1-3H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine?
N-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine has a molecular weight of 232.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine is sourced from PubChem (CID 61211231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).