[1-(1,3-difluoropropan-2-yl)piperidin-4-yl]methanol

C9H17F2NO — CID 67170709

IUPAC[1-(1,3-difluoropropan-2-yl)piperidin-4-yl]methanol
SMILESOCC1CCN(C(CF)CF)CC1
InChIInChI=1S/C9H17F2NO/c10-5-9(6-11)12-3-1-8(7-13)2-4-12/h8-9,13H,1-7H2
InChIKeyKQRIOUVVYMGDRF-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.00
Rot. Bonds4

About [1-(1,3-difluoropropan-2-yl)piperidin-4-yl]methanol

[1-(1,3-difluoropropan-2-yl)piperidin-4-yl]methanol (PubChem CID 67170709) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is [1-(1,3-difluoropropan-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(1,3-difluoropropan-2-yl)piperidin-4-yl]methanol
PubChem CID67170709
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name[1-(1,3-difluoropropan-2-yl)piperidin-4-yl]methanol
SMILESOCC1CCN(C(CF)CF)CC1
InChIInChI=1S/C9H17F2NO/c10-5-9(6-11)12-3-1-8(7-13)2-4-12/h8-9,13H,1-7H2
InChIKeyKQRIOUVVYMGDRF-UHFFFAOYSA-N
XLogP1.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(1,3-difluoropropan-2-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(1,3-difluoropropan-2-yl)piperidin-4-yl]methanol (CID 67170709) is [1-(1,3-difluoropropan-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(1,3-difluoropropan-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(1,3-difluoropropan-2-yl)piperidin-4-yl]methanol is OCC1CCN(C(CF)CF)CC1.
What is the InChIKey of [1-(1,3-difluoropropan-2-yl)piperidin-4-yl]methanol?
The InChIKey is KQRIOUVVYMGDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-5-9(6-11)12-3-1-8(7-13)2-4-12/h8-9,13H,1-7H2.
What are the key properties of [1-(1,3-difluoropropan-2-yl)piperidin-4-yl]methanol?
[1-(1,3-difluoropropan-2-yl)piperidin-4-yl]methanol has a molecular weight of 193.24 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-difluoropropan-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 67170709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).