(2R,4S)-2-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol

C15H25F2NO — CID 137343960

IUPAC(2R,4S)-2-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol
SMILESO[C@H]1CCN(CC2CCC(F)(F)CC2)[C@@H](C2CC2)C1
InChIInChI=1S/C15H25F2NO/c16-15(17)6-3-11(4-7-15)10-18-8-5-13(19)9-14(18)12-1-2-12/h11-14,19H,1-10H2/t13-,14+/m0/s1
InChIKeyANOBNSFXSPCXEO-UONOGXRCSA-N
MW273.37 g/mol
LogP3.05
Rot. Bonds3

About (2R,4S)-2-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol

(2R,4S)-2-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol (PubChem CID 137343960) has the molecular formula C15H25F2NO and a molecular weight of 273.37 g/mol. Its IUPAC name is (2R,4S)-2-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name(2R,4S)-2-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol
PubChem CID137343960
Molecular FormulaC15H25F2NO
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name(2R,4S)-2-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol
SMILESO[C@H]1CCN(CC2CCC(F)(F)CC2)[C@@H](C2CC2)C1
InChIInChI=1S/C15H25F2NO/c16-15(17)6-3-11(4-7-15)10-18-8-5-13(19)9-14(18)12-1-2-12/h11-14,19H,1-10H2/t13-,14+/m0/s1
InChIKeyANOBNSFXSPCXEO-UONOGXRCSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,4S)-2-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol with MolForge

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Related Compounds

1-[(4,4-Difluorocyclohexyl)methyl]piperidin-4-ol
CID 128699600
2-Methyl-1-[[3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 155302441
2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 155302491
1-(Cyclohexylmethyl)-2-(fluoromethyl)piperidin-4-ol
CID 155302541
1-[2-(4,4-Difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol
CID 155302644
2-Methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol
CID 155302688
1-[(4,4-Difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol
CID 155302767
2-Methyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 155302769
1,2-Dimethylpiperidin-4-ol;trifluoromethylcyclohexane
CID 155721197
1-[2-[4-(Trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol
CID 157038918
1-[2-(4,4-Difluorocyclohexyl)ethyl]piperidin-4-ol
CID 157038996
1-[[4-(1,1-Difluoroethyl)cyclohexyl]methyl]piperidin-4-ol
CID 157039031

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol?
The IUPAC name of (2R,4S)-2-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol (CID 137343960) is (2R,4S)-2-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol.
What is the SMILES notation for (2R,4S)-2-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol?
The canonical SMILES for (2R,4S)-2-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol is O[C@H]1CCN(CC2CCC(F)(F)CC2)[C@@H](C2CC2)C1.
What is the InChIKey of (2R,4S)-2-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol?
The InChIKey is ANOBNSFXSPCXEO-UONOGXRCSA-N. The full InChI is InChI=1S/C15H25F2NO/c16-15(17)6-3-11(4-7-15)10-18-8-5-13(19)9-14(18)12-1-2-12/h11-14,19H,1-10H2/t13-,14+/m0/s1.
What are the key properties of (2R,4S)-2-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol?
(2R,4S)-2-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol has a molecular weight of 273.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol is sourced from PubChem (CID 137343960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).