4-(aminomethyl)piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)

C10H16F6N2O5 — CID 155165177

IUPAC4-(aminomethyl)piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)
SMILESNCC1(O)CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O.2C2HF3O2/c7-5-6(9)1-3-8-4-2-6;2*3-2(4,5)1(6)7/h8-9H,1-5,7H2;2*(H,6,7)
InChIKeyFSWIVDJOAVYVNX-UHFFFAOYSA-N
MW358.24 g/mol
LogP0.33
Rot. Bonds1

About 4-(aminomethyl)piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)

4-(aminomethyl)piperidin-4-ol;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155165177) has the molecular formula C10H16F6N2O5 and a molecular weight of 358.24 g/mol. Its IUPAC name is 4-(aminomethyl)piperidin-4-ol;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name4-(aminomethyl)piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)
PubChem CID155165177
Molecular FormulaC10H16F6N2O5
Molecular Weight358.24 g/mol
Exact Mass358.10
IUPAC Name4-(aminomethyl)piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)
SMILESNCC1(O)CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O.2C2HF3O2/c7-5-6(9)1-3-8-4-2-6;2*3-2(4,5)1(6)7/h8-9H,1-5,7H2;2*(H,6,7)
InChIKeyFSWIVDJOAVYVNX-UHFFFAOYSA-N
XLogP0.33
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 50.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

4-(hydroxymethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid
CID 67270916
1-(aminomethyl)cyclopentan-1-ol;2,2,2-trifluoroacetic acid
CID 72698248
piperazine;bis(2,2,2-trifluoroacetic acid)
CID 88726631
4-propan-2-ylpiperidin-4-ol;2,2,2-trifluoroacetic acid
CID 68600448
pyrrolidine;2,2,2-trifluoroacetic acid
CID 56840277
1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 22507707
2-(4-hydroxypiperidin-4-yl)acetic acid
CID 15565781
2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 175831728
1-oxa-8-azaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
CID 169448913
(4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid
CID 170902541
ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 87485820
azepane;2,2,2-trifluoroacetic acid;hydrate
CID 157278760

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 4-(aminomethyl)piperidin-4-ol;bis(2,2,2-trifluoroacetic acid) (CID 155165177) is 4-(aminomethyl)piperidin-4-ol;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 4-(aminomethyl)piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 4-(aminomethyl)piperidin-4-ol;bis(2,2,2-trifluoroacetic acid) is NCC1(O)CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(aminomethyl)piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is FSWIVDJOAVYVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.2C2HF3O2/c7-5-6(9)1-3-8-4-2-6;2*3-2(4,5)1(6)7/h8-9H,1-5,7H2;2*(H,6,7).
What are the key properties of 4-(aminomethyl)piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)?
4-(aminomethyl)piperidin-4-ol;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 358.24 g/mol, XLogP of 0.33, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)piperidin-4-ol;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155165177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).