(3,3-difluoropiperidin-4-yl)methanol;hydrochloride

C6H12ClF2NO — CID 105442904

IUPAC(3,3-difluoropiperidin-4-yl)methanol;hydrochloride
SMILESCl.OCC1CCNCC1(F)F
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8)4-9-2-1-5(6)3-10;/h5,9-10H,1-4H2;1H
InChIKeyIWIOBEMDKUELNI-UHFFFAOYSA-N
MW187.62 g/mol
LogP0.65
Rot. Bonds1

About (3,3-difluoropiperidin-4-yl)methanol;hydrochloride

(3,3-difluoropiperidin-4-yl)methanol;hydrochloride (PubChem CID 105442904) has the molecular formula C6H12ClF2NO and a molecular weight of 187.62 g/mol. Its IUPAC name is (3,3-difluoropiperidin-4-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(3,3-difluoropiperidin-4-yl)methanol;hydrochloride
PubChem CID105442904
Molecular FormulaC6H12ClF2NO
Molecular Weight187.62 g/mol
Exact Mass187.06
IUPAC Name(3,3-difluoropiperidin-4-yl)methanol;hydrochloride
SMILESCl.OCC1CCNCC1(F)F
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8)4-9-2-1-5(6)3-10;/h5,9-10H,1-4H2;1H
InChIKeyIWIOBEMDKUELNI-UHFFFAOYSA-N
XLogP0.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.62
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3,3-difluoropiperidin-4-yl)methanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Piperidinemethanol
CID 420771
4-((2,2,2-Trifluoroethoxy)methyl)piperidine hydrochloride
CID 45791781
(4-Fluoropiperidin-4-yl)methanol hydrochloride
CID 56971709
2,2,2-Trifluoro-1-(piperidin-4-yl)ethan-1-ol hydrochloride
CID 66728457
4-((Difluoromethoxy)methyl)piperidine
CID 84717020
[4-(Trifluoromethyl)piperidin-4-yl]methanol hydrochloride
CID 132300842
4-Hydroxymethylpiperidine hydrochloride
CID 24191744
(4-(Trifluoromethyl)piperidin-3-yl)methanol hydrochloride
CID 119031094
4-[(Trifluoromethoxy)methyl]piperidine hydrochloride
CID 132343897
2,2-Difluoro-2-(piperidin-4-yl)ethan-1-ol hydrochloride
CID 135393112
(4-Fluoro-3-methylpiperidin-4-yl)methanol hydrochloride
CID 146082462
[4-(Difluoromethyl)piperidin-4-yl]methanol hydrochloride
CID 155859027

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropiperidin-4-yl)methanol;hydrochloride?
The IUPAC name of (3,3-difluoropiperidin-4-yl)methanol;hydrochloride (CID 105442904) is (3,3-difluoropiperidin-4-yl)methanol;hydrochloride.
What is the SMILES notation for (3,3-difluoropiperidin-4-yl)methanol;hydrochloride?
The canonical SMILES for (3,3-difluoropiperidin-4-yl)methanol;hydrochloride is Cl.OCC1CCNCC1(F)F.
What is the InChIKey of (3,3-difluoropiperidin-4-yl)methanol;hydrochloride?
The InChIKey is IWIOBEMDKUELNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO.ClH/c7-6(8)4-9-2-1-5(6)3-10;/h5,9-10H,1-4H2;1H.
What are the key properties of (3,3-difluoropiperidin-4-yl)methanol;hydrochloride?
(3,3-difluoropiperidin-4-yl)methanol;hydrochloride has a molecular weight of 187.62 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropiperidin-4-yl)methanol;hydrochloride is sourced from PubChem (CID 105442904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).