(4,4-difluoropiperidin-3-yl)methanol chloride

C6H11ClF2NO- — CID 86657793

IUPAC(4,4-difluoropiperidin-3-yl)methanol chloride
SMILESOCC1CNCCC1(F)F.[Cl-]
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8)1-2-9-3-5(6)4-10;/h5,9-10H,1-4H2;1H/p-1
InChIKeyFZLKYPPNCKYROE-UHFFFAOYSA-M
MW186.61 g/mol
LogP-2.77
Rot. Bonds1

About (4,4-difluoropiperidin-3-yl)methanol chloride

(4,4-difluoropiperidin-3-yl)methanol chloride (PubChem CID 86657793) has the molecular formula C6H11ClF2NO- and a molecular weight of 186.61 g/mol. Its IUPAC name is (4,4-difluoropiperidin-3-yl)methanol chloride.

Molecular Properties

Compound Name(4,4-difluoropiperidin-3-yl)methanol chloride
PubChem CID86657793
Molecular FormulaC6H11ClF2NO-
Molecular Weight186.61 g/mol
Exact Mass186.05
IUPAC Name(4,4-difluoropiperidin-3-yl)methanol chloride
SMILESOCC1CNCCC1(F)F.[Cl-]
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8)1-2-9-3-5(6)4-10;/h5,9-10H,1-4H2;1H/p-1
InChIKeyFZLKYPPNCKYROE-UHFFFAOYSA-M
XLogP-2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.61
LogP ≤ 5-2.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidin-3-ylmethanol
CID 107308
(3S)-piperidin-3-ylmethanol
CID 853002
(5-Methylpiperidin-3-yl)methanol
CID 19019558
(4-Methylpiperidin-3-yl)methanol
CID 21825419
3-[(Difluoromethoxy)methyl]piperidine
CID 58495767
(4,4-Difluoropiperidin-3-yl)methanol
CID 67371998
5-(Hydroxymethyl)piperidinyl methanol hydrocloride
CID 69756710
3-[(Trifluoromethoxy)methyl]piperidine hydrochloride
CID 122652188
[(3R,5R)-5-methylpiperidin-3-yl]methanol
CID 124547039
2,2,2-Trifluoro-1-(piperidin-3-yl)ethan-1-ol
CID 50990579
(3-Fluoropiperidin-3-yl)methanol hydrochloride
CID 71742825
[(3S,5R)-5-(hydroxymethyl)piperidin-3-yl]methanol hydrochloride
CID 75531028

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-3-yl)methanol chloride?
The IUPAC name of (4,4-difluoropiperidin-3-yl)methanol chloride (CID 86657793) is (4,4-difluoropiperidin-3-yl)methanol chloride.
What is the SMILES notation for (4,4-difluoropiperidin-3-yl)methanol chloride?
The canonical SMILES for (4,4-difluoropiperidin-3-yl)methanol chloride is OCC1CNCCC1(F)F.[Cl-].
What is the InChIKey of (4,4-difluoropiperidin-3-yl)methanol chloride?
The InChIKey is FZLKYPPNCKYROE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11F2NO.ClH/c7-6(8)1-2-9-3-5(6)4-10;/h5,9-10H,1-4H2;1H/p-1.
What are the key properties of (4,4-difluoropiperidin-3-yl)methanol chloride?
(4,4-difluoropiperidin-3-yl)methanol chloride has a molecular weight of 186.61 g/mol, XLogP of -2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-3-yl)methanol chloride is sourced from PubChem (CID 86657793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).