1-(cyclopropylmethyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)

C13H20F6N2O4 — CID 87315954

IUPAC1-(cyclopropylmethyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
SMILESNC1CCN(CC2CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2.2C2HF3O2/c10-9-3-5-11(6-4-9)7-8-1-2-8;2*3-2(4,5)1(6)7/h8-9H,1-7,10H2;2*(H,6,7)
InChIKeyLQGKAOYRJKCXBC-UHFFFAOYSA-N
MW382.30 g/mol
LogP2.09
Rot. Bonds2

About 1-(cyclopropylmethyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)

1-(cyclopropylmethyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87315954) has the molecular formula C13H20F6N2O4 and a molecular weight of 382.30 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-(cyclopropylmethyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID87315954
Molecular FormulaC13H20F6N2O4
Molecular Weight382.30 g/mol
Exact Mass382.13
IUPAC Name1-(cyclopropylmethyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
SMILESNC1CCN(CC2CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2.2C2HF3O2/c10-9-3-5-11(6-4-9)7-8-1-2-8;2*3-2(4,5)1(6)7/h8-9H,1-7,10H2;2*(H,6,7)
InChIKeyLQGKAOYRJKCXBC-UHFFFAOYSA-N
XLogP2.09
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-(cyclopropylmethyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid) (CID 87315954) is 1-(cyclopropylmethyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-(cyclopropylmethyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-(cyclopropylmethyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid) is NC1CCN(CC2CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(cyclopropylmethyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is LQGKAOYRJKCXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.2C2HF3O2/c10-9-3-5-11(6-4-9)7-8-1-2-8;2*3-2(4,5)1(6)7/h8-9H,1-7,10H2;2*(H,6,7).
What are the key properties of 1-(cyclopropylmethyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
1-(cyclopropylmethyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 382.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87315954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).