(3-fluoro-4-pyridinyl)-(4-propylcyclohexyl)methanol

C15H22FNO — CID 104738027

IUPAC(3-fluoro-4-pyridinyl)-(4-propylcyclohexyl)methanol
SMILESCCCC1CCC(C(O)c2ccncc2F)CC1
InChIInChI=1S/C15H22FNO/c1-2-3-11-4-6-12(7-5-11)15(18)13-8-9-17-10-14(13)16/h8-12,15,18H,2-7H2,1H3
InChIKeyAMDNXLXTTGMLQX-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.86
Rot. Bonds4

About (3-fluoro-4-pyridinyl)-(4-propylcyclohexyl)methanol

(3-fluoro-4-pyridinyl)-(4-propylcyclohexyl)methanol (PubChem CID 104738027) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-(4-propylcyclohexyl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-(4-propylcyclohexyl)methanol
PubChem CID104738027
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name(3-fluoro-4-pyridinyl)-(4-propylcyclohexyl)methanol
SMILESCCCC1CCC(C(O)c2ccncc2F)CC1
InChIInChI=1S/C15H22FNO/c1-2-3-11-4-6-12(7-5-11)15(18)13-8-9-17-10-14(13)16/h8-12,15,18H,2-7H2,1H3
InChIKeyAMDNXLXTTGMLQX-UHFFFAOYSA-N
XLogP3.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 66273542
1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol
CID 103456925
(1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine
CID 130679719
[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethyl]hydrazine
CID 105254097
6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol
CID 115833955
(4-ethylcyclohexyl)-(2-fluorophenyl)methanol
CID 64749746
N-[(3-ethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 113447257
1-(3-fluoro-4-pyridinyl)butane-1,2-diol
CID 103454633
(4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105110904
(4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol
CID 66273752
N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 116722908
1-(3-fluoro-4-pyridinyl)-3-methoxy-3-methylbutan-1-ol
CID 103027695

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-(4-propylcyclohexyl)methanol?
The IUPAC name of (3-fluoro-4-pyridinyl)-(4-propylcyclohexyl)methanol (CID 104738027) is (3-fluoro-4-pyridinyl)-(4-propylcyclohexyl)methanol.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-(4-propylcyclohexyl)methanol?
The canonical SMILES for (3-fluoro-4-pyridinyl)-(4-propylcyclohexyl)methanol is CCCC1CCC(C(O)c2ccncc2F)CC1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-(4-propylcyclohexyl)methanol?
The InChIKey is AMDNXLXTTGMLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-2-3-11-4-6-12(7-5-11)15(18)13-8-9-17-10-14(13)16/h8-12,15,18H,2-7H2,1H3.
What are the key properties of (3-fluoro-4-pyridinyl)-(4-propylcyclohexyl)methanol?
(3-fluoro-4-pyridinyl)-(4-propylcyclohexyl)methanol has a molecular weight of 251.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-(4-propylcyclohexyl)methanol is sourced from PubChem (CID 104738027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).