(2S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-2-ethylpiperidin-4-ol

C14H25F2NO — CID 137343868

IUPAC(2S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-2-ethylpiperidin-4-ol
SMILESCC[C@H]1C[C@@H](O)CCN1CC1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2NO/c1-2-12-9-13(18)5-8-17(12)10-11-3-6-14(15,16)7-4-11/h11-13,18H,2-10H2,1H3/t12-,13-/m0/s1
InChIKeyXISFZFKRSLJBAM-STQMWFEESA-N
MW261.36 g/mol
LogP3.05
Rot. Bonds3

About (2S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-2-ethylpiperidin-4-ol

(2S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-2-ethylpiperidin-4-ol (PubChem CID 137343868) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is (2S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-2-ethylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-2-ethylpiperidin-4-ol
PubChem CID137343868
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name(2S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-2-ethylpiperidin-4-ol
SMILESCC[C@H]1C[C@@H](O)CCN1CC1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2NO/c1-2-12-9-13(18)5-8-17(12)10-11-3-6-14(15,16)7-4-11/h11-13,18H,2-10H2,1H3/t12-,13-/m0/s1
InChIKeyXISFZFKRSLJBAM-STQMWFEESA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3-Trimethylpiperidin-4-ol
CID 3972739
1-[1-[(4-Methylcyclohexyl)methyl]piperidin-2-yl]ethanol
CID 75496940
2,2,2-Trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol
CID 60046634
2,2,6,6-Tetramethyl-1-(2,2,2-trifluoro-ethyl)-piperidin-4-ol
CID 68830384
(3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol
CID 118321426
1-[[4-(Trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 127889594
1-[(4,4-Difluorocyclohexyl)methyl]piperidin-4-ol
CID 128699600
2,2-Difluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol
CID 129298365
(1R)-2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol
CID 129298760
(1S)-2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol
CID 129298762
1-[2-(4-Fluorocyclohexyl)ethyl]piperidin-4-ol
CID 140430826
2-(4,4-Difluoro-1-propan-2-ylpiperidin-3-yl)ethanol
CID 153592566

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-2-ethylpiperidin-4-ol?
The IUPAC name of (2S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-2-ethylpiperidin-4-ol (CID 137343868) is (2S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-2-ethylpiperidin-4-ol.
What is the SMILES notation for (2S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-2-ethylpiperidin-4-ol?
The canonical SMILES for (2S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-2-ethylpiperidin-4-ol is CC[C@H]1C[C@@H](O)CCN1CC1CCC(F)(F)CC1.
What is the InChIKey of (2S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-2-ethylpiperidin-4-ol?
The InChIKey is XISFZFKRSLJBAM-STQMWFEESA-N. The full InChI is InChI=1S/C14H25F2NO/c1-2-12-9-13(18)5-8-17(12)10-11-3-6-14(15,16)7-4-11/h11-13,18H,2-10H2,1H3/t12-,13-/m0/s1.
What are the key properties of (2S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-2-ethylpiperidin-4-ol?
(2S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-2-ethylpiperidin-4-ol has a molecular weight of 261.36 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 (2S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-2-ethylpiperidin-4-ol is sourced from PubChem (CID 137343868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).