(1-piperidin-4-ylpiperidin-3-yl)methanol;2,2,2-trifluoroacetic acid

C13H23F3N2O3 — CID 134325286

IUPAC(1-piperidin-4-ylpiperidin-3-yl)methanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCC1CCCN(C2CCNCC2)C1
InChIInChI=1S/C11H22N2O.C2HF3O2/c14-9-10-2-1-7-13(8-10)11-3-5-12-6-4-11;3-2(4,5)1(6)7/h10-12,14H,1-9H2;(H,6,7)
InChIKeyRQEHNOYPQMASDD-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.08
Rot. Bonds2

About (1-piperidin-4-ylpiperidin-3-yl)methanol;2,2,2-trifluoroacetic acid

(1-piperidin-4-ylpiperidin-3-yl)methanol;2,2,2-trifluoroacetic acid (PubChem CID 134325286) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is (1-piperidin-4-ylpiperidin-3-yl)methanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(1-piperidin-4-ylpiperidin-3-yl)methanol;2,2,2-trifluoroacetic acid
PubChem CID134325286
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC Name(1-piperidin-4-ylpiperidin-3-yl)methanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCC1CCCN(C2CCNCC2)C1
InChIInChI=1S/C11H22N2O.C2HF3O2/c14-9-10-2-1-7-13(8-10)11-3-5-12-6-4-11;3-2(4,5)1(6)7/h10-12,14H,1-9H2;(H,6,7)
InChIKeyRQEHNOYPQMASDD-UHFFFAOYSA-N
XLogP1.08
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-piperidin-4-ylpiperidin-3-yl)methanol;2,2,2-trifluoroacetic acid?
The IUPAC name of (1-piperidin-4-ylpiperidin-3-yl)methanol;2,2,2-trifluoroacetic acid (CID 134325286) is (1-piperidin-4-ylpiperidin-3-yl)methanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (1-piperidin-4-ylpiperidin-3-yl)methanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for (1-piperidin-4-ylpiperidin-3-yl)methanol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OCC1CCCN(C2CCNCC2)C1.
What is the InChIKey of (1-piperidin-4-ylpiperidin-3-yl)methanol;2,2,2-trifluoroacetic acid?
The InChIKey is RQEHNOYPQMASDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C2HF3O2/c14-9-10-2-1-7-13(8-10)11-3-5-12-6-4-11;3-2(4,5)1(6)7/h10-12,14H,1-9H2;(H,6,7).
What are the key properties of (1-piperidin-4-ylpiperidin-3-yl)methanol;2,2,2-trifluoroacetic acid?
(1-piperidin-4-ylpiperidin-3-yl)methanol;2,2,2-trifluoroacetic acid has a molecular weight of 312.33 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-piperidin-4-ylpiperidin-3-yl)methanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 134325286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).