ethane;1-[(2-fluoro-4-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine

C17H29FN2 — CID 166121018

IUPACethane;1-[(2-fluoro-4-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine
SMILESCC.Cc1ccc(CN2CCC(N(C)C)CC2)c(F)c1
InChIInChI=1S/C15H23FN2.C2H6/c1-12-4-5-13(15(16)10-12)11-18-8-6-14(7-9-18)17(2)3;1-2/h4-5,10,14H,6-9,11H2,1-3H3;1-2H3
InChIKeyHJNIEHCXGDCLJU-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.69
Rot. Bonds3

About ethane;1-[(2-fluoro-4-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine

ethane;1-[(2-fluoro-4-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 166121018) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is ethane;1-[(2-fluoro-4-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Nameethane;1-[(2-fluoro-4-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine
PubChem CID166121018
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Nameethane;1-[(2-fluoro-4-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine
SMILESCC.Cc1ccc(CN2CCC(N(C)C)CC2)c(F)c1
InChIInChI=1S/C15H23FN2.C2H6/c1-12-4-5-13(15(16)10-12)11-18-8-6-14(7-9-18)17(2)3;1-2/h4-5,10,14H,6-9,11H2,1-3H3;1-2H3
InChIKeyHJNIEHCXGDCLJU-UHFFFAOYSA-N
XLogP3.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine
CID 145145193
1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 118671533
1-[(4-bromo-2-fluorophenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165088
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166063
3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-fluorobenzoic acid
CID 63068446
2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-4-methylphenol
CID 82979879
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46052106
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide
CID 46052014
1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 55159077
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-fluorobenzoic acid
CID 107907543
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994220
4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine
CID 63389167

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2-fluoro-4-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of ethane;1-[(2-fluoro-4-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine (CID 166121018) is ethane;1-[(2-fluoro-4-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for ethane;1-[(2-fluoro-4-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for ethane;1-[(2-fluoro-4-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine is CC.Cc1ccc(CN2CCC(N(C)C)CC2)c(F)c1.
What is the InChIKey of ethane;1-[(2-fluoro-4-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is HJNIEHCXGDCLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2.C2H6/c1-12-4-5-13(15(16)10-12)11-18-8-6-14(7-9-18)17(2)3;1-2/h4-5,10,14H,6-9,11H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[(2-fluoro-4-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine?
ethane;1-[(2-fluoro-4-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 280.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2-fluoro-4-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 166121018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).