1-[6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol

C20H24FN5O — CID 155717488

IUPAC1-[6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol
SMILESC/N=C/C(=C(/C)N)c1cncc(N2CCC(O)(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C20H24FN5O/c1-14(22)17(11-23-2)18-12-24-13-19(25-18)26-9-7-20(27,8-10-26)15-3-5-16(21)6-4-15/h3-6,11-13,27H,7-10,22H2,1-2H3/b17-14+,23-11+
InChIKeyBIXAUORFMOSNPR-XZHOURSKSA-N
MW369.44 g/mol
LogP2.49
Rot. Bonds4

About 1-[6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol

1-[6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol (PubChem CID 155717488) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-[6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol
PubChem CID155717488
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name1-[6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol
SMILESC/N=C/C(=C(/C)N)c1cncc(N2CCC(O)(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C20H24FN5O/c1-14(22)17(11-23-2)18-12-24-13-19(25-18)26-9-7-20(27,8-10-26)15-3-5-16(21)6-4-15/h3-6,11-13,27H,7-10,22H2,1-2H3/b17-14+,23-11+
InChIKeyBIXAUORFMOSNPR-XZHOURSKSA-N
XLogP2.49
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[6-[(E)-3-amino-1-methyliminobut-2-en-2-yl]-2-pyridinyl]-4-(3,4-difluorophenyl)piperidin-4-ol
CID 155717518
4-(4-fluorophenyl)-1-[6-(4-methylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-ol
CID 155263942
1-[2-[(E)-3-amino-1-methyliminobut-2-en-2-yl]pyrimidin-4-yl]-4-(3,4-difluorophenyl)piperidin-4-ol
CID 155717505
4-(4-fluorophenyl)-1-(6-pyrimidin-5-ylpyrazin-2-yl)piperidin-4-ol
CID 155263855
4-(4-fluorophenyl)-1-[6-(4-methoxyphenyl)pyrazin-2-yl]piperidin-4-ol
CID 155263820
4-(4-fluorophenyl)-1-[6-(4-methylsulfonylphenyl)pyrazin-2-yl]piperidin-4-ol
CID 155263877
6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 155256619
4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol
CID 155263860
N'-hydroxy-6-pyrrolidin-1-ylpyrazine-2-carboximidamide
CID 135804087
methyl 6-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate
CID 126806929
2-chloro-6-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 126829735
4-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)piperidin-4-ol
CID 163350268

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-[6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol (CID 155717488) is 1-[6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol is C/N=C/C(=C(/C)N)c1cncc(N2CCC(O)(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 1-[6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol?
The InChIKey is BIXAUORFMOSNPR-XZHOURSKSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-14(22)17(11-23-2)18-12-24-13-19(25-18)26-9-7-20(27,8-10-26)15-3-5-16(21)6-4-15/h3-6,11-13,27H,7-10,22H2,1-2H3/b17-14+,23-11+.
What are the key properties of 1-[6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol?
1-[6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol has a molecular weight of 369.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 155717488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).