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

C17H28N2 — CID 115145537

IUPACN-[(2,4-dimethylphenyl)methyl]-N,2,2-trimethylpiperidin-4-amine
SMILESCc1ccc(CN(C)C2CCNC(C)(C)C2)c(C)c1
InChIInChI=1S/C17H28N2/c1-13-6-7-15(14(2)10-13)12-19(5)16-8-9-18-17(3,4)11-16/h6-7,10,16,18H,8-9,11-12H2,1-5H3
InChIKeyYESKIOMYOXKHII-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.27
Rot. Bonds3

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

N-[(2,4-dimethylphenyl)methyl]-N,2,2-trimethylpiperidin-4-amine (PubChem CID 115145537) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-N,2,2-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-N,2,2-trimethylpiperidin-4-amine
PubChem CID115145537
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-N,2,2-trimethylpiperidin-4-amine
SMILESCc1ccc(CN(C)C2CCNC(C)(C)C2)c(C)c1
InChIInChI=1S/C17H28N2/c1-13-6-7-15(14(2)10-13)12-19(5)16-8-9-18-17(3,4)11-16/h6-7,10,16,18H,8-9,11-12H2,1-5H3
InChIKeyYESKIOMYOXKHII-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 83713467
N-[2-(2,4-dimethylphenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine
CID 115146089
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63642105
N,2,2-trimethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 115145554
N-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine
CID 115145533
N,2,2-trimethyl-N-(3-methylphenyl)piperidin-4-amine
CID 115145443
N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]piperidin-4-amine
CID 115145619
N,2,2-trimethyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine
CID 115145628
N,2,2-trimethyl-N-(3-methylthiophen-2-yl)piperidin-4-amine
CID 115145465
N,2,2-trimethyl-N-phenylpiperidin-4-amine;hydrochloride
CID 156708950
N-[(2-bromo-4-methylphenyl)methyl]-N-methylazepan-4-amine
CID 107172051
1-(2,2-dimethylpiperidin-4-yl)-1,2,2-trimethylhydrazine
CID 19609586

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N,2,2-trimethylpiperidin-4-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N,2,2-trimethylpiperidin-4-amine (CID 115145537) is N-[(2,4-dimethylphenyl)methyl]-N,2,2-trimethylpiperidin-4-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-N,2,2-trimethylpiperidin-4-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-N,2,2-trimethylpiperidin-4-amine is Cc1ccc(CN(C)C2CCNC(C)(C)C2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-N,2,2-trimethylpiperidin-4-amine?
The InChIKey is YESKIOMYOXKHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-6-7-15(14(2)10-13)12-19(5)16-8-9-18-17(3,4)11-16/h6-7,10,16,18H,8-9,11-12H2,1-5H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-N,2,2-trimethylpiperidin-4-amine?
N-[(2,4-dimethylphenyl)methyl]-N,2,2-trimethylpiperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.27, 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,2,2-trimethylpiperidin-4-amine is sourced from PubChem (CID 115145537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).