N-cyclopropylpiperidin-4-amine;bis(2,2,2-trifluoroacetic acid)

C12H18F6N2O4 — CID 87891043

IUPACN-cyclopropylpiperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
SMILESC1CC(NC2CC2)CCN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2.2C2HF3O2/c1-2-7(1)10-8-3-5-9-6-4-8;2*3-2(4,5)1(6)7/h7-10H,1-6H2;2*(H,6,7)
InChIKeyKQCNILAODGFNDR-UHFFFAOYSA-N
MW368.27 g/mol
LogP1.76
Rot. Bonds2

About N-cyclopropylpiperidin-4-amine;bis(2,2,2-trifluoroacetic acid)

N-cyclopropylpiperidin-4-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87891043) has the molecular formula C12H18F6N2O4 and a molecular weight of 368.27 g/mol. Its IUPAC name is N-cyclopropylpiperidin-4-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-cyclopropylpiperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID87891043
Molecular FormulaC12H18F6N2O4
Molecular Weight368.27 g/mol
Exact Mass368.12
IUPAC NameN-cyclopropylpiperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
SMILESC1CC(NC2CC2)CCN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2.2C2HF3O2/c1-2-7(1)10-8-3-5-9-6-4-8;2*3-2(4,5)1(6)7/h7-10H,1-6H2;2*(H,6,7)
InChIKeyKQCNILAODGFNDR-UHFFFAOYSA-N
XLogP1.76
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylpiperidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-cyclopropylpiperidin-4-amine;bis(2,2,2-trifluoroacetic acid) (CID 87891043) is N-cyclopropylpiperidin-4-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-cyclopropylpiperidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-cyclopropylpiperidin-4-amine;bis(2,2,2-trifluoroacetic acid) is C1CC(NC2CC2)CCN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopropylpiperidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is KQCNILAODGFNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.2C2HF3O2/c1-2-7(1)10-8-3-5-9-6-4-8;2*3-2(4,5)1(6)7/h7-10H,1-6H2;2*(H,6,7).
What are the key properties of N-cyclopropylpiperidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
N-cyclopropylpiperidin-4-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 368.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylpiperidin-4-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87891043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).