4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine

C16H22ClFN2O — CID 171691361

IUPAC4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine
SMILESFc1cccc(Cl)c1CN1CCC(N2CCOCC2)CC1
InChIInChI=1S/C16H22ClFN2O/c17-15-2-1-3-16(18)14(15)12-19-6-4-13(5-7-19)20-8-10-21-11-9-20/h1-3,13H,4-12H2
InChIKeySAHIFAZSNGOKHN-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.78
Rot. Bonds3

About 4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine

4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine (PubChem CID 171691361) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is 4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine
PubChem CID171691361
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine
SMILESFc1cccc(Cl)c1CN1CCC(N2CCOCC2)CC1
InChIInChI=1S/C16H22ClFN2O/c17-15-2-1-3-16(18)14(15)12-19-6-4-13(5-7-19)20-8-10-21-11-9-20/h1-3,13H,4-12H2
InChIKeySAHIFAZSNGOKHN-UHFFFAOYSA-N
XLogP2.78
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 47035132
(3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-morpholin-4-ylpiperidin-2-one
CID 95990935
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905861
[(3S,4R)-1-[(2-chloro-6-fluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 133122079
1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-(4-cyclopentylpiperazin-1-yl)ethanone
CID 55591824
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25249332
[(2R)-2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone
CID 95333643
(3R,4R)-1-[(2-chloro-6-fluorophenyl)methyl]-4-(3-morpholin-4-ylpropylamino)piperidin-3-ol
CID 16677335
1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 22195379
1-(2-adamantyl)-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 22193877
(3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26390940
1-[(2-chloro-6-fluorophenyl)methyl]-1,5-diazocane
CID 95049087

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine (CID 171691361) is 4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine is Fc1cccc(Cl)c1CN1CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine?
The InChIKey is SAHIFAZSNGOKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c17-15-2-1-3-16(18)14(15)12-19-6-4-13(5-7-19)20-8-10-21-11-9-20/h1-3,13H,4-12H2.
What are the key properties of 4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine?
4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine has a molecular weight of 312.82 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine is sourced from PubChem (CID 171691361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).