1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine

C17H28N2 — CID 116906876

IUPAC1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
SMILESCc1ccc(C)c(C(CC2CCNCC2)N(C)C)c1
InChIInChI=1S/C17H28N2/c1-13-5-6-14(2)16(11-13)17(19(3)4)12-15-7-9-18-10-8-15/h5-6,11,15,17-18H,7-10,12H2,1-4H3
InChIKeyARRPTZBESKPLGQ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.30
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine

1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine (PubChem CID 116906876) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
PubChem CID116906876
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
SMILESCc1ccc(C)c(C(CC2CCNCC2)N(C)C)c1
InChIInChI=1S/C17H28N2/c1-13-5-6-14(2)16(11-13)17(19(3)4)12-15-7-9-18-10-8-15/h5-6,11,15,17-18H,7-10,12H2,1-4H3
InChIKeyARRPTZBESKPLGQ-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906891
1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 82024010
1-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906884
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906846
N,N-dimethyl-1-phenyl-2-piperidin-4-ylethanamine
CID 116906872
N,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine
CID 116906713
2-chloro-1-(2,5-dimethylphenyl)-N,N-dimethylethanamine
CID 116907390
3-(dimethylamino)-3-(2,5-dimethylphenyl)propanenitrile
CID 116909868
2-(1-chloro-2-cyclopropylethyl)-1,4-dimethylbenzene
CID 63433985
4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol
CID 79707959
4-[(2,4-dimethylphenyl)-fluoromethyl]piperidine
CID 112563629
4-[2-fluoro-2-(4-methylphenyl)ethyl]piperidine
CID 105478233

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine (CID 116906876) is 1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine is Cc1ccc(C)c(C(CC2CCNCC2)N(C)C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine?
The InChIKey is ARRPTZBESKPLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-5-6-14(2)16(11-13)17(19(3)4)12-15-7-9-18-10-8-15/h5-6,11,15,17-18H,7-10,12H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine?
1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine is sourced from PubChem (CID 116906876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).