[2,2-difluoro-1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanol;ethane

C12H22F3NO — CID 177010059

IUPAC[2,2-difluoro-1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanol;ethane
SMILESCC.OCC1(CN2CCC(F)CC2)CC1(F)F
InChIInChI=1S/C10H16F3NO.C2H6/c11-8-1-3-14(4-2-8)6-9(7-15)5-10(9,12)13;1-2/h8,15H,1-7H2;1-2H3
InChIKeyMKUGCVZYMHTVDU-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.46
Rot. Bonds3

About [2,2-difluoro-1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanol;ethane

[2,2-difluoro-1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanol;ethane (PubChem CID 177010059) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is [2,2-difluoro-1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanol;ethane.

Molecular Properties

Compound Name[2,2-difluoro-1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanol;ethane
PubChem CID177010059
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name[2,2-difluoro-1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanol;ethane
SMILESCC.OCC1(CN2CCC(F)CC2)CC1(F)F
InChIInChI=1S/C10H16F3NO.C2H6/c11-8-1-3-14(4-2-8)6-9(7-15)5-10(9,12)13;1-2/h8,15H,1-7H2;1-2H3
InChIKeyMKUGCVZYMHTVDU-UHFFFAOYSA-N
XLogP2.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

{1-[(Piperidin-1-yl)methyl]cyclopropyl}methanol
CID 82111309
[1-[2-[(1S)-2,2-difluorocyclopropyl]ethyl]-4-propylpiperidin-4-yl]methanol
CID 164640925
[1-(1-Trifluoromethyl-cyclopropylmethyl)-piperidin-4-yl]-methanol
CID 66865643
(1-((4,4-Difluoropiperidin-1-yl)methyl)cyclopropyl)methanol
CID 116991256
[1-[(3,3-Difluoro-1-piperidyl)methyl]cyclopropyl]methanol
CID 116991375
(1-(3,3,3-Trifluoro-2,2-dimethylpropyl)piperidin-4-yl)methanol
CID 118109864
2,2-Difluoro-1-(4-methylpiperidin-1-yl)propan-1-ol
CID 123606698
3-(4-Fluoro-4-methylpiperidin-1-yl)propan-1-ol
CID 142524248
3-(4,4-Difluoropiperidin-1-yl)propan-1-ol;ethane
CID 153336772
(3,3-Difluoro-1-methylpiperidin-4-yl)methanol;ethane
CID 166075469
(1-((4-Fluoropiperidin-1-yl)methyl)cyclopropyl)methanol
CID 168194853
(1-((1,1-Difluoro-6-azaspiro[2.5]octan-6-yl)methyl)cyclopropyl)methanol
CID 168451133

Frequently Asked Questions

What is the IUPAC name of [2,2-difluoro-1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanol;ethane?
The IUPAC name of [2,2-difluoro-1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanol;ethane (CID 177010059) is [2,2-difluoro-1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanol;ethane.
What is the SMILES notation for [2,2-difluoro-1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanol;ethane?
The canonical SMILES for [2,2-difluoro-1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanol;ethane is CC.OCC1(CN2CCC(F)CC2)CC1(F)F.
What is the InChIKey of [2,2-difluoro-1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanol;ethane?
The InChIKey is MKUGCVZYMHTVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO.C2H6/c11-8-1-3-14(4-2-8)6-9(7-15)5-10(9,12)13;1-2/h8,15H,1-7H2;1-2H3.
What are the key properties of [2,2-difluoro-1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanol;ethane?
[2,2-difluoro-1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanol;ethane has a molecular weight of 253.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanol;ethane is sourced from PubChem (CID 177010059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).