N-[(4-ethylphenyl)methyl]-N-methyl-2-piperidin-4-ylethanamine

C17H28N2 — CID 115211655

IUPACN-[(4-ethylphenyl)methyl]-N-methyl-2-piperidin-4-ylethanamine
SMILESCCc1ccc(CN(C)CCC2CCNCC2)cc1
InChIInChI=1S/C17H28N2/c1-3-15-4-6-17(7-5-15)14-19(2)13-10-16-8-11-18-12-9-16/h4-7,16,18H,3,8-14H2,1-2H3
InChIKeyATIBQPGSZOIOAE-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.07
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-N-methyl-2-piperidin-4-ylethanamine

N-[(4-ethylphenyl)methyl]-N-methyl-2-piperidin-4-ylethanamine (PubChem CID 115211655) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N-methyl-2-piperidin-4-ylethanamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N-methyl-2-piperidin-4-ylethanamine
PubChem CID115211655
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(4-ethylphenyl)methyl]-N-methyl-2-piperidin-4-ylethanamine
SMILESCCc1ccc(CN(C)CCC2CCNCC2)cc1
InChIInChI=1S/C17H28N2/c1-3-15-4-6-17(7-5-15)14-19(2)13-10-16-8-11-18-12-9-16/h4-7,16,18H,3,8-14H2,1-2H3
InChIKeyATIBQPGSZOIOAE-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 60915091
N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 61029974
N-ethyl-N-methyl-2-piperidin-4-ylethanamine
CID 43263497
N-(ethoxymethyl)-N-methyl-2-piperidin-4-ylethanamine
CID 66273653
4-ethyl-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 62002097
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine
CID 115211660
[4-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]methanol
CID 113365922
N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929518
N-benzyl-N-(2-piperidin-4-ylethyl)propan-2-amine
CID 54911022
N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 61413367
N-[2-(4-ethylphenyl)ethyl]-N-methylpiperidin-4-amine
CID 115118500
N-(3-fluorophenyl)-2-[methyl(2-piperidin-4-ylethyl)amino]acetamide;hydrochloride
CID 120663420

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-2-piperidin-4-ylethanamine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-2-piperidin-4-ylethanamine (CID 115211655) is N-[(4-ethylphenyl)methyl]-N-methyl-2-piperidin-4-ylethanamine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N-methyl-2-piperidin-4-ylethanamine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N-methyl-2-piperidin-4-ylethanamine is CCc1ccc(CN(C)CCC2CCNCC2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N-methyl-2-piperidin-4-ylethanamine?
The InChIKey is ATIBQPGSZOIOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-15-4-6-17(7-5-15)14-19(2)13-10-16-8-11-18-12-9-16/h4-7,16,18H,3,8-14H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-N-methyl-2-piperidin-4-ylethanamine?
N-[(4-ethylphenyl)methyl]-N-methyl-2-piperidin-4-ylethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-N-methyl-2-piperidin-4-ylethanamine is sourced from PubChem (CID 115211655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).