4-[3-fluoro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]morpholine

C18H23FN4O — CID 154678443

IUPAC4-[3-fluoro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]morpholine
SMILESFc1cc(N2CCOCC2)ccc1C1CCN(c2cn[nH]c2)CC1
InChIInChI=1S/C18H23FN4O/c19-18-11-15(23-7-9-24-10-8-23)1-2-17(18)14-3-5-22(6-4-14)16-12-20-21-13-16/h1-2,11-14H,3-10H2,(H,20,21)
InChIKeyXDHATYGVQLUTAU-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.77
Rot. Bonds3

About 4-[3-fluoro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]morpholine

4-[3-fluoro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]morpholine (PubChem CID 154678443) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-[3-fluoro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[3-fluoro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]morpholine
PubChem CID154678443
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name4-[3-fluoro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]morpholine
SMILESFc1cc(N2CCOCC2)ccc1C1CCN(c2cn[nH]c2)CC1
InChIInChI=1S/C18H23FN4O/c19-18-11-15(23-7-9-24-10-8-23)1-2-17(18)14-3-5-22(6-4-14)16-12-20-21-13-16/h1-2,11-14H,3-10H2,(H,20,21)
InChIKeyXDHATYGVQLUTAU-UHFFFAOYSA-N
XLogP2.77
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidin-1-yl]phenyl]morpholine
CID 170426436
4-[4-[4-(7-fluoro-2H-indazol-3-yl)piperidin-1-yl]phenyl]morpholine
CID 170426453
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid
CID 82647068
[4-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclopentyl]methanone
CID 176618480
1-(4-morpholin-4-ylphenyl)piperidin-4-amine
CID 63180022
ethane;N-[2-(4-fluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 142511623
5-[4-(1-methylindol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole
CID 163253930
4-(1-fluoro-7-morpholin-4-yl-10H-phenothiazin-3-yl)morpholine;hydrochloride
CID 173481523
4-(3-piperidin-4-ylphenyl)morpholine
CID 117368717
6-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 83824131
4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine
CID 59811985

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]morpholine?
The IUPAC name of 4-[3-fluoro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]morpholine (CID 154678443) is 4-[3-fluoro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]morpholine.
What is the SMILES notation for 4-[3-fluoro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]morpholine?
The canonical SMILES for 4-[3-fluoro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]morpholine is Fc1cc(N2CCOCC2)ccc1C1CCN(c2cn[nH]c2)CC1.
What is the InChIKey of 4-[3-fluoro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]morpholine?
The InChIKey is XDHATYGVQLUTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c19-18-11-15(23-7-9-24-10-8-23)1-2-17(18)14-3-5-22(6-4-14)16-12-20-21-13-16/h1-2,11-14H,3-10H2,(H,20,21).
What are the key properties of 4-[3-fluoro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]morpholine?
4-[3-fluoro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]morpholine has a molecular weight of 330.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]morpholine is sourced from PubChem (CID 154678443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).