N-[(2,5-dimethylphenyl)methyl]-1-methylpiperidin-3-amine

C15H24N2 — CID 54971762

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

About N-[(2,5-dimethylphenyl)methyl]-1-methylpiperidin-3-amine

N-[(2,5-dimethylphenyl)methyl]-1-methylpiperidin-3-amine (PubChem CID 54971762) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-1-methylpiperidin-3-amine
PubChem CID54971762
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-1-methylpiperidin-3-amine
SMILESCc1ccc(C)c(CNC2CCCN(C)C2)c1
InChIInChI=1S/C15H24N2/c1-12-6-7-13(2)14(9-12)10-16-15-5-4-8-17(3)11-15/h6-7,9,15-16H,4-5,8,10-11H2,1-3H3
InChIKeyLZUHFSCGHJSTHL-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

N-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine
CID 61211231
1-methyl-N-[(3-methyl-4-pyridinyl)methyl]piperidin-3-amine
CID 114699054
3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 54971817
N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 63667562
N-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671674
1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
CID 61210854
N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 115695883
N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine
CID 61210462
5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol
CID 61264001
N-[(2,5-dimethylphenyl)methyl]thiolan-3-amine
CID 103701631
N-(2-chloroethyl)-1-methylpiperidin-3-amine
CID 115214671
1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine
CID 66400036

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-1-methylpiperidin-3-amine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-1-methylpiperidin-3-amine (CID 54971762) is N-[(2,5-dimethylphenyl)methyl]-1-methylpiperidin-3-amine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-1-methylpiperidin-3-amine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-1-methylpiperidin-3-amine is Cc1ccc(C)c(CNC2CCCN(C)C2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-1-methylpiperidin-3-amine?
The InChIKey is LZUHFSCGHJSTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-6-7-13(2)14(9-12)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-[(2,5-dimethylphenyl)methyl]-1-methylpiperidin-3-amine?
N-[(2,5-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-[(2,5-dimethylphenyl)methyl]-1-methylpiperidin-3-amine is sourced from PubChem (CID 54971762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).