[(2S)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-2-yl]methanol

C15H27F2NO — CID 175844547

IUPAC[(2S)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-2-yl]methanol
SMILESCC(F)(F)C1CCC(CN2CCCC[C@H]2CO)CC1
InChIInChI=1S/C15H27F2NO/c1-15(16,17)13-7-5-12(6-8-13)10-18-9-3-2-4-14(18)11-19/h12-14,19H,2-11H2,1H3/t12?,13?,14-/m0/s1
InChIKeyZWHLWTVOIQYOBL-RUXDESIVSA-N
MW275.38 g/mol
LogP3.29
Rot. Bonds4

About [(2S)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-2-yl]methanol

[(2S)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-2-yl]methanol (PubChem CID 175844547) has the molecular formula C15H27F2NO and a molecular weight of 275.38 g/mol. Its IUPAC name is [(2S)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-2-yl]methanol
PubChem CID175844547
Molecular FormulaC15H27F2NO
Molecular Weight275.38 g/mol
Exact Mass275.21
IUPAC Name[(2S)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-2-yl]methanol
SMILESCC(F)(F)C1CCC(CN2CCCC[C@H]2CO)CC1
InChIInChI=1S/C15H27F2NO/c1-15(16,17)13-7-5-12(6-8-13)10-18-9-3-2-4-14(18)11-19/h12-14,19H,2-11H2,1H3/t12?,13?,14-/m0/s1
InChIKeyZWHLWTVOIQYOBL-RUXDESIVSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-2-yl]methanol (CID 175844547) is [(2S)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-2-yl]methanol is CC(F)(F)C1CCC(CN2CCCC[C@H]2CO)CC1.
What is the InChIKey of [(2S)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-2-yl]methanol?
The InChIKey is ZWHLWTVOIQYOBL-RUXDESIVSA-N. The full InChI is InChI=1S/C15H27F2NO/c1-15(16,17)13-7-5-12(6-8-13)10-18-9-3-2-4-14(18)11-19/h12-14,19H,2-11H2,1H3/t12?,13?,14-/m0/s1.
What are the key properties of [(2S)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-2-yl]methanol?
[(2S)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-2-yl]methanol has a molecular weight of 275.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 175844547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).