[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanol

C18H22FN3O — CID 133470690

IUPAC[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanol
SMILESCc1cnc(C)c(N2CCC(C(O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H22FN3O/c1-12-11-20-13(2)18(21-12)22-9-7-15(8-10-22)17(23)14-3-5-16(19)6-4-14/h3-6,11,15,17,23H,7-10H2,1-2H3
InChIKeyNBFKVYRIOJEMNI-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.18
Rot. Bonds3

About [1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanol

[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanol (PubChem CID 133470690) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is [1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanol
PubChem CID133470690
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanol
SMILESCc1cnc(C)c(N2CCC(C(O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H22FN3O/c1-12-11-20-13(2)18(21-12)22-9-7-15(8-10-22)17(23)14-3-5-16(19)6-4-14/h3-6,11,15,17,23H,7-10H2,1-2H3
InChIKeyNBFKVYRIOJEMNI-UHFFFAOYSA-N
XLogP3.18
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(1-chloroethyl)piperidin-1-yl]-2,5-dimethylpyrazine
CID 106838567
2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine
CID 70724831
[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 111109352
7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111520537
[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 111109390
(4-fluorophenyl)-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)methanol
CID 133320956
(4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol
CID 133372528
1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde
CID 65419285
(R)-(4-fluorophenyl)-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 124621837
4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 111109253
1-(3,6-dimethylpyrazin-2-yl)-N,N-diethylpiperidine-4-carboxamide
CID 133469139
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone
CID 124619104

Frequently Asked Questions

What is the IUPAC name of [1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanol?
The IUPAC name of [1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanol (CID 133470690) is [1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for [1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanol is Cc1cnc(C)c(N2CCC(C(O)c3ccc(F)cc3)CC2)n1.
What is the InChIKey of [1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanol?
The InChIKey is NBFKVYRIOJEMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-12-11-20-13(2)18(21-12)22-9-7-15(8-10-22)17(23)14-3-5-16(19)6-4-14/h3-6,11,15,17,23H,7-10H2,1-2H3.
What are the key properties of [1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanol?
[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanol has a molecular weight of 315.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 133470690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).