(S)-(6-fluoro-2,5-dimethylcyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanol

C14H22FNO — CID 163933824

IUPAC(S)-(6-fluoro-2,5-dimethylcyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanol
SMILESCC1=C([C@@H](O)C2CCNCC2)C(F)C(C)C=C1
InChIInChI=1S/C14H22FNO/c1-9-3-4-10(2)13(15)12(9)14(17)11-5-7-16-8-6-11/h3-4,10-11,13-14,16-17H,5-8H2,1-2H3/t10?,13?,14-/m0/s1
InChIKeyRKZFZANUMWRKGZ-DBRPNBKGSA-N
MW239.33 g/mol
LogP2.21
Rot. Bonds2

About (S)-(6-fluoro-2,5-dimethylcyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanol

(S)-(6-fluoro-2,5-dimethylcyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanol (PubChem CID 163933824) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is (S)-(6-fluoro-2,5-dimethylcyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanol.

Molecular Properties

Compound Name(S)-(6-fluoro-2,5-dimethylcyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanol
PubChem CID163933824
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name(S)-(6-fluoro-2,5-dimethylcyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanol
SMILESCC1=C([C@@H](O)C2CCNCC2)C(F)C(C)C=C1
InChIInChI=1S/C14H22FNO/c1-9-3-4-10(2)13(15)12(9)14(17)11-5-7-16-8-6-11/h3-4,10-11,13-14,16-17H,5-8H2,1-2H3/t10?,13?,14-/m0/s1
InChIKeyRKZFZANUMWRKGZ-DBRPNBKGSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(1S)-1-(5-ethyl-4-fluorocyclohexen-1-yl)ethyl]amino]cyclohex-2-en-1-ol
CID 68340680
7-(3-Fluoropropyl)-1,2,3,4,6,7-hexahydroisoquinolin-6-ol
CID 166718975
Cyclohex-1-en-1-yl(3,3-difluoropiperidin-4-yl)methanol
CID 178343027
(2E)-2-ethenyl-1-piperidin-3-ylpenta-2,4-dien-1-ol
CID 88267971
1-Cyclopropyl-3-ethenyl-6-(piperidin-4-ylidenemethyl)octa-3,5-dien-2-ol
CID 124020808
4-(Cyclohexa-1,5-dien-1-ylmethyl)piperidin-3-ol
CID 142093009
5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidin-3-ol
CID 144175356
3-(Cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-ol
CID 145601154
(Z,2E)-5-methylidene-1-piperidin-4-yl-2-propylidenehept-3-en-1-ol
CID 155356420
4-(6-Methylcyclohexa-1,3-dien-1-yl)piperidin-4-ol
CID 164066883
3-(5-Methylpiperidin-2-yl)cyclohex-2-en-1-ol
CID 164752961
(2R,3S,4E)-2-(2,2-dimethylpropyl)-6-methyl-4-prop-2-enylidenepiperidin-3-ol
CID 167013931

Frequently Asked Questions

What is the IUPAC name of (S)-(6-fluoro-2,5-dimethylcyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanol?
The IUPAC name of (S)-(6-fluoro-2,5-dimethylcyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanol (CID 163933824) is (S)-(6-fluoro-2,5-dimethylcyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanol.
What is the SMILES notation for (S)-(6-fluoro-2,5-dimethylcyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanol?
The canonical SMILES for (S)-(6-fluoro-2,5-dimethylcyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanol is CC1=C([C@@H](O)C2CCNCC2)C(F)C(C)C=C1.
What is the InChIKey of (S)-(6-fluoro-2,5-dimethylcyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanol?
The InChIKey is RKZFZANUMWRKGZ-DBRPNBKGSA-N. The full InChI is InChI=1S/C14H22FNO/c1-9-3-4-10(2)13(15)12(9)14(17)11-5-7-16-8-6-11/h3-4,10-11,13-14,16-17H,5-8H2,1-2H3/t10?,13?,14-/m0/s1.
What are the key properties of (S)-(6-fluoro-2,5-dimethylcyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanol?
(S)-(6-fluoro-2,5-dimethylcyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanol has a molecular weight of 239.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(6-fluoro-2,5-dimethylcyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanol is sourced from PubChem (CID 163933824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).