1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol

C13H23F2NO3 — CID 157038963

IUPAC1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
SMILESOC1CN(CC2CCC(C(F)F)CC2)CC(O)C1O
InChIInChI=1S/C13H23F2NO3/c14-13(15)9-3-1-8(2-4-9)5-16-6-10(17)12(19)11(18)7-16/h8-13,17-19H,1-7H2
InChIKeyWXQRMLCNRLWUAP-UHFFFAOYSA-N
MW279.33 g/mol
LogP0.46
Rot. Bonds3

About 1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol

1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol (PubChem CID 157038963) has the molecular formula C13H23F2NO3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
PubChem CID157038963
Molecular FormulaC13H23F2NO3
Molecular Weight279.33 g/mol
Exact Mass279.16
IUPAC Name1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
SMILESOC1CN(CC2CCC(C(F)F)CC2)CC(O)C1O
InChIInChI=1S/C13H23F2NO3/c14-13(15)9-3-1-8(2-4-9)5-16-6-10(17)12(19)11(18)7-16/h8-13,17-19H,1-7H2
InChIKeyWXQRMLCNRLWUAP-UHFFFAOYSA-N
XLogP0.46
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol
CID 51356490
Butyl-5-(difluoromethyl)piperidine 3,4-diol
CID 75631375
(3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol
CID 118321426
5-(Difluoromethyl)-1-(1-hydroxyethyl)piperidine-3,4-diol
CID 123315092
1-[[4-(Trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 127889594
1-[(4,4-Difluorocyclohexyl)methyl]piperidin-4-ol
CID 128699600
(3R,4R)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol
CID 134386637
(3R,4R,5S)-5-(difluoromethyl)-1-propylpiperidine-3,4-diol
CID 151560079
(4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol
CID 153064791
(3R,4R,5S)-5-(difluoromethyl)-1-(1-hydroxyethyl)piperidine-3,4-diol
CID 153669990
(2R,3R,4R,5S)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidine-3,4,5-triol
CID 155286440
(2R,3R,4R,5S)-1-[2-(4,4-difluorocyclohexyl)ethyl]-2-methylpiperidine-3,4,5-triol
CID 155286446

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The IUPAC name of 1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol (CID 157038963) is 1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol.
What is the SMILES notation for 1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The canonical SMILES for 1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol is OC1CN(CC2CCC(C(F)F)CC2)CC(O)C1O.
What is the InChIKey of 1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The InChIKey is WXQRMLCNRLWUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO3/c14-13(15)9-3-1-8(2-4-9)5-16-6-10(17)12(19)11(18)7-16/h8-13,17-19H,1-7H2.
What are the key properties of 1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol has a molecular weight of 279.33 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 157038963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).