2-[3-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetonitrile

C13H20F3N3 — CID 83992649

IUPAC2-[3-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetonitrile
SMILESN#CCN1CC(CC2CC2)CC(NCC(F)(F)F)C1
InChIInChI=1S/C13H20F3N3/c14-13(15,16)9-18-12-6-11(5-10-1-2-10)7-19(8-12)4-3-17/h10-12,18H,1-2,4-9H2
InChIKeyPZQJCVOXTGIWOO-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.15
Rot. Bonds5

About 2-[3-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetonitrile

2-[3-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetonitrile (PubChem CID 83992649) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetonitrile
PubChem CID83992649
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name2-[3-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetonitrile
SMILESN#CCN1CC(CC2CC2)CC(NCC(F)(F)F)C1
InChIInChI=1S/C13H20F3N3/c14-13(15,16)9-18-12-6-11(5-10-1-2-10)7-19(8-12)4-3-17/h10-12,18H,1-2,4-9H2
InChIKeyPZQJCVOXTGIWOO-UHFFFAOYSA-N
XLogP2.15
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[3-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-1-yl]acetonitrile
CID 83993343
1-(cyanomethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992653
1-cyclopentyl-5-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992444
1-(cyclopropylmethyl)-5-propyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992525
1,5-bis(cyclopropylmethyl)-N-(2,2-dimethylpropyl)piperidin-3-amine
CID 83995297
1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992094
5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-3-amine
CID 83994925
N,1,5-tris(cyclopropylmethyl)piperidin-3-amine
CID 83996680
1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992539
2-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992721
N,5-bis(cyclopropylmethyl)-1-ethylpiperidin-3-amine
CID 83996251
2-[3-(3-methylbutylamino)-5-propylpiperidin-1-yl]acetonitrile
CID 83996107

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetonitrile?
The IUPAC name of 2-[3-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetonitrile (CID 83992649) is 2-[3-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[3-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetonitrile?
The canonical SMILES for 2-[3-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetonitrile is N#CCN1CC(CC2CC2)CC(NCC(F)(F)F)C1.
What is the InChIKey of 2-[3-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetonitrile?
The InChIKey is PZQJCVOXTGIWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c14-13(15,16)9-18-12-6-11(5-10-1-2-10)7-19(8-12)4-3-17/h10-12,18H,1-2,4-9H2.
What are the key properties of 2-[3-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetonitrile?
2-[3-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetonitrile has a molecular weight of 275.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetonitrile is sourced from PubChem (CID 83992649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).