N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine

C15H24N2 — CID 83713467

IUPACN-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine
SMILESCc1ccc(CN(C)C2CCNCC2)c(C)c1
InChIInChI=1S/C15H24N2/c1-12-4-5-14(13(2)10-12)11-17(3)15-6-8-16-9-7-15/h4-5,10,15-16H,6-9,11H2,1-3H3
InChIKeyWRKVBCDKDPVTDS-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.49
Rot. Bonds3

About N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine

N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine (PubChem CID 83713467) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine
PubChem CID83713467
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine
SMILESCc1ccc(CN(C)C2CCNCC2)c(C)c1
InChIInChI=1S/C15H24N2/c1-12-4-5-14(13(2)10-12)11-17(3)15-6-8-16-9-7-15/h4-5,10,15-16H,6-9,11H2,1-3H3
InChIKeyWRKVBCDKDPVTDS-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-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63642105
N-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-4-amine
CID 55085534
N-[(2,4-dimethylphenyl)methyl]-N,2,2-trimethylpiperidin-4-amine
CID 115145537
N-[(2-bromo-4-methylphenyl)methyl]-N-methylazepan-4-amine
CID 107172051
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylazepan-4-amine
CID 104974360
N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine
CID 115118961
4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol
CID 115149515
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211401
N-[(2-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 106865573
N-(2,4-dimethylphenyl)-N-methylpyrrolidin-3-amine
CID 78989080
4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122756
N,N-dimethyl-1-(5-methyl-2-piperidin-4-ylphenyl)methanamine;ethane
CID 166120310

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine (CID 83713467) is N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine is Cc1ccc(CN(C)C2CCNCC2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is WRKVBCDKDPVTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-4-5-14(13(2)10-12)11-17(3)15-6-8-16-9-7-15/h4-5,10,15-16H,6-9,11H2,1-3H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine?
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-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-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 83713467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).