1-[(piperidin-4-ylamino)methyl]cyclopropane-1-carbonitrile;2,2,2-trifluoroacetic acid

C12H18F3N3O2 — CID 130344833

IUPAC1-[(piperidin-4-ylamino)methyl]cyclopropane-1-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#CC1(CNC2CCNCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H17N3.C2HF3O2/c11-7-10(3-4-10)8-13-9-1-5-12-6-2-9;3-2(4,5)1(6)7/h9,12-13H,1-6,8H2;(H,6,7)
InChIKeyVYJUXMMTTVVVLD-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.27
Rot. Bonds3

About 1-[(piperidin-4-ylamino)methyl]cyclopropane-1-carbonitrile;2,2,2-trifluoroacetic acid

1-[(piperidin-4-ylamino)methyl]cyclopropane-1-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 130344833) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-[(piperidin-4-ylamino)methyl]cyclopropane-1-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[(piperidin-4-ylamino)methyl]cyclopropane-1-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID130344833
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name1-[(piperidin-4-ylamino)methyl]cyclopropane-1-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#CC1(CNC2CCNCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H17N3.C2HF3O2/c11-7-10(3-4-10)8-13-9-1-5-12-6-2-9;3-2(4,5)1(6)7/h9,12-13H,1-6,8H2;(H,6,7)
InChIKeyVYJUXMMTTVVVLD-UHFFFAOYSA-N
XLogP1.27
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(piperidin-4-ylamino)methyl]cyclopropane-1-carbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[(piperidin-4-ylamino)methyl]cyclopropane-1-carbonitrile;2,2,2-trifluoroacetic acid (CID 130344833) is 1-[(piperidin-4-ylamino)methyl]cyclopropane-1-carbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[(piperidin-4-ylamino)methyl]cyclopropane-1-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[(piperidin-4-ylamino)methyl]cyclopropane-1-carbonitrile;2,2,2-trifluoroacetic acid is N#CC1(CNC2CCNCC2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[(piperidin-4-ylamino)methyl]cyclopropane-1-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is VYJUXMMTTVVVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.C2HF3O2/c11-7-10(3-4-10)8-13-9-1-5-12-6-2-9;3-2(4,5)1(6)7/h9,12-13H,1-6,8H2;(H,6,7).
What are the key properties of 1-[(piperidin-4-ylamino)methyl]cyclopropane-1-carbonitrile;2,2,2-trifluoroacetic acid?
1-[(piperidin-4-ylamino)methyl]cyclopropane-1-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 293.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(piperidin-4-ylamino)methyl]cyclopropane-1-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 130344833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).