4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol

C9H15F2NO — CID 90420072

IUPAC4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol
SMILESOC1(CC2CC2(F)F)CCNCC1
InChIInChI=1S/C9H15F2NO/c10-9(11)6-7(9)5-8(13)1-3-12-4-2-8/h7,12-13H,1-6H2
InChIKeyKPQRMRUDUMFESO-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.15
Rot. Bonds2

About 4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol

4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol (PubChem CID 90420072) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol
PubChem CID90420072
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol
SMILESOC1(CC2CC2(F)F)CCNCC1
InChIInChI=1S/C9H15F2NO/c10-9(11)6-7(9)5-8(13)1-3-12-4-2-8/h7,12-13H,1-6H2
InChIKeyKPQRMRUDUMFESO-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Cyclopropylpiperidin-4-ol
CID 22283390
1-(Piperidin-3-yl)cyclopropan-1-ol
CID 84648693
4-(3,3,3-Trifluoro-2-methylpropyl)piperidin-4-ol
CID 90418902
4-(3,3-Difluoropropyl)piperidin-4-ol
CID 90418931
4-(3,3-Difluoro-2-methylpropyl)piperidin-4-ol
CID 90419016
4-(3,3-Difluorobutyl)piperidin-4-ol
CID 90419711
(6S,7R,8S)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol
CID 118199698
(6S,7R,8S)-6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol
CID 118199699
(6R,7R,8S)-6-fluoro-8-(fluoromethyl)-4-azaspiro[2.5]octan-7-ol
CID 118199701
(6R,7R,8S)-8-(difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol
CID 118199702
(3R,4R)-4-cyclopropyl-3-fluoropiperidin-4-ol
CID 118668071
8-(Difluoromethyl)-6-fluoro-4-azaspiro[2.5]octan-7-ol
CID 123139901

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol?
The IUPAC name of 4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol (CID 90420072) is 4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol is OC1(CC2CC2(F)F)CCNCC1.
What is the InChIKey of 4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol?
The InChIKey is KPQRMRUDUMFESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c10-9(11)6-7(9)5-8(13)1-3-12-4-2-8/h7,12-13H,1-6H2.
What are the key properties of 4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol?
4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol has a molecular weight of 191.22 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol is sourced from PubChem (CID 90420072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).