(2-fluoro-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone

C16H21FN2O2 — CID 166001125

IUPAC(2-fluoro-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone
SMILESO=C(c1cccc(C2CCNCC2)c1F)N1CCOCC1
InChIInChI=1S/C16H21FN2O2/c17-15-13(12-4-6-18-7-5-12)2-1-3-14(15)16(20)19-8-10-21-11-9-19/h1-3,12,18H,4-11H2
InChIKeyIKSBANSPHRMVHQ-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.77
Rot. Bonds2

About (2-fluoro-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone

(2-fluoro-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone (PubChem CID 166001125) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is (2-fluoro-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-fluoro-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone
PubChem CID166001125
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name(2-fluoro-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone
SMILESO=C(c1cccc(C2CCNCC2)c1F)N1CCOCC1
InChIInChI=1S/C16H21FN2O2/c17-15-13(12-4-6-18-7-5-12)2-1-3-14(15)16(20)19-8-10-21-11-9-19/h1-3,12,18H,4-11H2
InChIKeyIKSBANSPHRMVHQ-UHFFFAOYSA-N
XLogP1.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone
CID 171362080
(2-fluoro-3-piperidin-4-ylphenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 166001112
1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone
CID 57448055
(2-fluoro-5-piperidin-4-ylphenyl)-morpholin-4-ylmethanone
CID 171361963
morpholin-4-yl-(5-piperidin-4-ylnaphthalen-2-yl)methanone
CID 171396936
(2-fluoro-3-piperidin-4-ylphenyl)-[2-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 166001116
(2-methylmorpholin-4-yl)-(2-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride
CID 171362081
N-cyclohexyl-2-fluoro-3-piperidin-4-ylbenzamide
CID 166001097
N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119304348
(3-chloro-2-fluorophenyl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 70713744
morpholin-4-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62715735
[(3aS,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-morpholin-4-ylmethanone
CID 40806854

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (2-fluoro-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone (CID 166001125) is (2-fluoro-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-fluoro-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-fluoro-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone is O=C(c1cccc(C2CCNCC2)c1F)N1CCOCC1.
What is the InChIKey of (2-fluoro-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone?
The InChIKey is IKSBANSPHRMVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-15-13(12-4-6-18-7-5-12)2-1-3-14(15)16(20)19-8-10-21-11-9-19/h1-3,12,18H,4-11H2.
What are the key properties of (2-fluoro-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone?
(2-fluoro-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone has a molecular weight of 292.35 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 166001125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).