3,3,3-trifluoro-2-[(4-methylpiperidin-1-yl)methyl]propanenitrile

C10H15F3N2 — CID 103367633

IUPAC3,3,3-trifluoro-2-[(4-methylpiperidin-1-yl)methyl]propanenitrile
SMILESCC1CCN(CC(C#N)C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2/c1-8-2-4-15(5-3-8)7-9(6-14)10(11,12)13/h8-9H,2-5,7H2,1H3
InChIKeyGENAQLORGCCANN-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.42
Rot. Bonds2

About 3,3,3-trifluoro-2-[(4-methylpiperidin-1-yl)methyl]propanenitrile

3,3,3-trifluoro-2-[(4-methylpiperidin-1-yl)methyl]propanenitrile (PubChem CID 103367633) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(4-methylpiperidin-1-yl)methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(4-methylpiperidin-1-yl)methyl]propanenitrile
PubChem CID103367633
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name3,3,3-trifluoro-2-[(4-methylpiperidin-1-yl)methyl]propanenitrile
SMILESCC1CCN(CC(C#N)C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2/c1-8-2-4-15(5-3-8)7-9(6-14)10(11,12)13/h8-9H,2-5,7H2,1H3
InChIKeyGENAQLORGCCANN-UHFFFAOYSA-N
XLogP2.42
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Propyl-4-(trifluoromethyl)piperidine
CID 17951327
N-Methyl-4-trifluoromethylpiperidine
CID 18711403
4-Trifluoromethyl-piperidine-1-carbonitrile
CID 21864599
4-Ethyl-1-(2,2,2-trifluoroethyl)piperidine
CID 23381152
4-Methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 23381153
3,3-Difluoro-1,4-dimethylpiperidine
CID 23395561
1-Ethyl-4-(trifluoromethyl)piperidine
CID 54499391
1-(2,2-Difluoroethyl)-4-ethylpiperidine
CID 57553432
1-(Difluoromethyl)-4-methylpiperidine
CID 57652176
1-Butyl-4-(trifluoromethyl)piperidine
CID 58742115
1-(2,2-Dimethylpropyl)-4-(trifluoromethyl)piperidine
CID 58877740
1,3-Dimethyl-4-(trifluoromethyl)piperidine
CID 58944832

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(4-methylpiperidin-1-yl)methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[(4-methylpiperidin-1-yl)methyl]propanenitrile (CID 103367633) is 3,3,3-trifluoro-2-[(4-methylpiperidin-1-yl)methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[(4-methylpiperidin-1-yl)methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[(4-methylpiperidin-1-yl)methyl]propanenitrile is CC1CCN(CC(C#N)C(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-2-[(4-methylpiperidin-1-yl)methyl]propanenitrile?
The InChIKey is GENAQLORGCCANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-8-2-4-15(5-3-8)7-9(6-14)10(11,12)13/h8-9H,2-5,7H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[(4-methylpiperidin-1-yl)methyl]propanenitrile?
3,3,3-trifluoro-2-[(4-methylpiperidin-1-yl)methyl]propanenitrile has a molecular weight of 220.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(4-methylpiperidin-1-yl)methyl]propanenitrile is sourced from PubChem (CID 103367633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).