(4-methylpiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid

C9H16F3NO3 — CID 22507736

IUPAC(4-methylpiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid
SMILESCC1(CO)CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15NO.C2HF3O2/c1-7(6-9)2-4-8-5-3-7;3-2(4,5)1(6)7/h8-9H,2-6H2,1H3;(H,6,7)
InChIKeyZZGDRTHKGZFSGD-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.00
Rot. Bonds1

About (4-methylpiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid

(4-methylpiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid (PubChem CID 22507736) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is (4-methylpiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(4-methylpiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid
PubChem CID22507736
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name(4-methylpiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid
SMILESCC1(CO)CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15NO.C2HF3O2/c1-7(6-9)2-4-8-5-3-7;3-2(4,5)1(6)7/h8-9H,2-6H2,1H3;(H,6,7)
InChIKeyZZGDRTHKGZFSGD-UHFFFAOYSA-N
XLogP1.00
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid?
The IUPAC name of (4-methylpiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid (CID 22507736) is (4-methylpiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (4-methylpiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for (4-methylpiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid is CC1(CO)CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of (4-methylpiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid?
The InChIKey is ZZGDRTHKGZFSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2HF3O2/c1-7(6-9)2-4-8-5-3-7;3-2(4,5)1(6)7/h8-9H,2-6H2,1H3;(H,6,7).
What are the key properties of (4-methylpiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid?
(4-methylpiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid has a molecular weight of 243.22 g/mol, XLogP of 1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-4-yl)methanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22507736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).