2-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile

C10H16F3N3 — CID 103371723

IUPAC2-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile
SMILESN#CC(CN1CCC(CN)CC1)C(F)(F)F
InChIInChI=1S/C10H16F3N3/c11-10(12,13)9(6-15)7-16-3-1-8(5-14)2-4-16/h8-9H,1-5,7,14H2
InChIKeyWWWFYZOMKYHOPI-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.36
Rot. Bonds3

About 2-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile

2-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103371723) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103371723
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name2-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile
SMILESN#CC(CN1CCC(CN)CC1)C(F)(F)F
InChIInChI=1S/C10H16F3N3/c11-10(12,13)9(6-15)7-16-3-1-8(5-14)2-4-16/h8-9H,1-5,7,14H2
InChIKeyWWWFYZOMKYHOPI-UHFFFAOYSA-N
XLogP1.36
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyano-3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
CID 103371482
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3,3,3-trifluoropropanenitrile
CID 103367969
[1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 119031603
3,3,3-trifluoro-2-[(3-hydroxyazetidin-1-yl)methyl]propanenitrile
CID 103372187
[1-(2,3,3,3-tetrafluoropropyl)pyrrolidin-3-yl]methanamine
CID 115028625
3-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylpropanenitrile
CID 164647316
2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367832
4-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65250779
2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]acetonitrile
CID 94342020
[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine
CID 83144621
(1-fluoropiperidin-4-yl)methanamine
CID 88998861
5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile
CID 62063600

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile (CID 103371723) is 2-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile is N#CC(CN1CCC(CN)CC1)C(F)(F)F.
What is the InChIKey of 2-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is WWWFYZOMKYHOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c11-10(12,13)9(6-15)7-16-3-1-8(5-14)2-4-16/h8-9H,1-5,7,14H2.
What are the key properties of 2-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile?
2-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 235.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103371723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).