N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine

C17H28N2 — CID 115211401

IUPACN-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
SMILESCc1ccc(CN(C)CCC2CCCNC2)c(C)c1
InChIInChI=1S/C17H28N2/c1-14-6-7-17(15(2)11-14)13-19(3)10-8-16-5-4-9-18-12-16/h6-7,11,16,18H,4-5,8-10,12-13H2,1-3H3
InChIKeyWVEXUPBZTOQWQH-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.12
Rot. Bonds5

About N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine

N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine (PubChem CID 115211401) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
PubChem CID115211401
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
SMILESCc1ccc(CN(C)CCC2CCCNC2)c(C)c1
InChIInChI=1S/C17H28N2/c1-14-6-7-17(15(2)11-14)13-19(3)10-8-16-5-4-9-18-12-16/h6-7,11,16,18H,4-5,8-10,12-13H2,1-3H3
InChIKeyWVEXUPBZTOQWQH-UHFFFAOYSA-N
XLogP3.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.12
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-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 120849544
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
CID 62357207
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120850156
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815655
2-cyclobutyl-N-methyl-N-(2-piperidin-3-ylethyl)ethanamine
CID 115211477
N,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline
CID 117336984
N-[2-(2,4-dimethylphenyl)ethyl]-2-pyrrolidin-3-ylethanamine
CID 115210856
3-(2,4-dimethylphenyl)-1-piperidin-3-ylpropan-1-one
CID 82294914
2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 62538178
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine
CID 117045174
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 83713467

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine (CID 115211401) is N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine is Cc1ccc(CN(C)CCC2CCCNC2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine?
The InChIKey is WVEXUPBZTOQWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-6-7-17(15(2)11-14)13-19(3)10-8-16-5-4-9-18-12-16/h6-7,11,16,18H,4-5,8-10,12-13H2,1-3H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine?
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.12, 5 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-methyl-2-piperidin-3-ylethanamine is sourced from PubChem (CID 115211401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).