4-[2-(4-fluorophenyl)ethylamino]-1-methylpiperidine-4-carbonitrile

C15H20FN3 — CID 28702914

IUPAC4-[2-(4-fluorophenyl)ethylamino]-1-methylpiperidine-4-carbonitrile
SMILESCN1CCC(C#N)(NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FN3/c1-19-10-7-15(12-17,8-11-19)18-9-6-13-2-4-14(16)5-3-13/h2-5,18H,6-11H2,1H3
InChIKeyWTHIAHPSNLBCMS-UHFFFAOYSA-N
MW261.34 g/mol
LogP1.95
Rot. Bonds4

About 4-[2-(4-fluorophenyl)ethylamino]-1-methylpiperidine-4-carbonitrile

4-[2-(4-fluorophenyl)ethylamino]-1-methylpiperidine-4-carbonitrile (PubChem CID 28702914) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethylamino]-1-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethylamino]-1-methylpiperidine-4-carbonitrile
PubChem CID28702914
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name4-[2-(4-fluorophenyl)ethylamino]-1-methylpiperidine-4-carbonitrile
SMILESCN1CCC(C#N)(NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FN3/c1-19-10-7-15(12-17,8-11-19)18-9-6-13-2-4-14(16)5-3-13/h2-5,18H,6-11H2,1H3
InChIKeyWTHIAHPSNLBCMS-UHFFFAOYSA-N
XLogP1.95
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile
CID 28702687
1-methyl-4-(propylamino)azepane-4-carbonitrile
CID 65075051
3-(4-fluorophenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]propanamide
CID 91760690
1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile
CID 62977512
2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide
CID 60967999
4-(2-methylpropylamino)-1-(2-phenylethyl)piperidine-4-carbonitrile
CID 61006040
3-[[2-(4-fluorophenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248128
3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carbonitrile
CID 62977137
1-[[2-(4-fluorophenyl)-2-oxoethyl]amino]cyclopropane-1-carbonitrile
CID 122510744
(Z)-2-cyano-3-[2-(4-fluorophenyl)ethylamino]-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838657
N-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913799
N-[(1-fluorocyclopentyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 126847971

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethylamino]-1-methylpiperidine-4-carbonitrile?
The IUPAC name of 4-[2-(4-fluorophenyl)ethylamino]-1-methylpiperidine-4-carbonitrile (CID 28702914) is 4-[2-(4-fluorophenyl)ethylamino]-1-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethylamino]-1-methylpiperidine-4-carbonitrile?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethylamino]-1-methylpiperidine-4-carbonitrile is CN1CCC(C#N)(NCCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethylamino]-1-methylpiperidine-4-carbonitrile?
The InChIKey is WTHIAHPSNLBCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-19-10-7-15(12-17,8-11-19)18-9-6-13-2-4-14(16)5-3-13/h2-5,18H,6-11H2,1H3.
What are the key properties of 4-[2-(4-fluorophenyl)ethylamino]-1-methylpiperidine-4-carbonitrile?
4-[2-(4-fluorophenyl)ethylamino]-1-methylpiperidine-4-carbonitrile has a molecular weight of 261.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethylamino]-1-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 28702914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).