1-[(2R)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]acetyl]piperidine-4-carbonitrile

C12H16F3N3O — CID 71236288

IUPAC1-[(2R)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]acetyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)[C@H](N)C2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11(3-4-11)9(17)10(19)18-5-1-8(7-16)2-6-18/h8-9H,1-6,17H2/t9-/m0/s1
InChIKeyOIQNYYLGWALOSI-VIFPVBQESA-N
MW275.27 g/mol
LogP1.42
Rot. Bonds2

About 1-[(2R)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]acetyl]piperidine-4-carbonitrile

1-[(2R)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]acetyl]piperidine-4-carbonitrile (PubChem CID 71236288) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-[(2R)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]acetyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[(2R)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]acetyl]piperidine-4-carbonitrile
PubChem CID71236288
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name1-[(2R)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]acetyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)[C@H](N)C2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11(3-4-11)9(17)10(19)18-5-1-8(7-16)2-6-18/h8-9H,1-6,17H2/t9-/m0/s1
InChIKeyOIQNYYLGWALOSI-VIFPVBQESA-N
XLogP1.42
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]acetyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[(2R)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]acetyl]piperidine-4-carbonitrile (CID 71236288) is 1-[(2R)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]acetyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[(2R)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]acetyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[(2R)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]acetyl]piperidine-4-carbonitrile is N#CC1CCN(C(=O)[C@H](N)C2(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[(2R)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]acetyl]piperidine-4-carbonitrile?
The InChIKey is OIQNYYLGWALOSI-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)11(3-4-11)9(17)10(19)18-5-1-8(7-16)2-6-18/h8-9H,1-6,17H2/t9-/m0/s1.
What are the key properties of 1-[(2R)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]acetyl]piperidine-4-carbonitrile?
1-[(2R)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]acetyl]piperidine-4-carbonitrile has a molecular weight of 275.27 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]acetyl]piperidine-4-carbonitrile is sourced from PubChem (CID 71236288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).