4-[1-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]ethyl]morpholine

C18H26ClFN2O — CID 70705816

IUPAC4-[1-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]ethyl]morpholine
SMILESCC(C1CCN(Cc2ccc(Cl)c(F)c2)CC1)N1CCOCC1
InChIInChI=1S/C18H26ClFN2O/c1-14(22-8-10-23-11-9-22)16-4-6-21(7-5-16)13-15-2-3-17(19)18(20)12-15/h2-3,12,14,16H,4-11,13H2,1H3
InChIKeyPGAJNTXFQBNCRJ-UHFFFAOYSA-N
MW340.87 g/mol
LogP3.41
Rot. Bonds4

About 4-[1-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]ethyl]morpholine

4-[1-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]ethyl]morpholine (PubChem CID 70705816) has the molecular formula C18H26ClFN2O and a molecular weight of 340.87 g/mol. Its IUPAC name is 4-[1-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[1-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]ethyl]morpholine
PubChem CID70705816
Molecular FormulaC18H26ClFN2O
Molecular Weight340.87 g/mol
Exact Mass340.17
IUPAC Name4-[1-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]ethyl]morpholine
SMILESCC(C1CCN(Cc2ccc(Cl)c(F)c2)CC1)N1CCOCC1
InChIInChI=1S/C18H26ClFN2O/c1-14(22-8-10-23-11-9-22)16-4-6-21(7-5-16)13-15-2-3-17(19)18(20)12-15/h2-3,12,14,16H,4-11,13H2,1H3
InChIKeyPGAJNTXFQBNCRJ-UHFFFAOYSA-N
XLogP3.41
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.87
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]phenol
CID 95894012
1-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 113360661
4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine
CID 95894428
4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70784455
1-[(4-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)piperidine
CID 107887383
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 55216872
4-[1-[1-[(2,3-difluoro-4-methoxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70706548
3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-4-methylpiperidine
CID 107887652
8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 113345091
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526
N-[(4-chloro-3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769034
1-[(1R)-1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine
CID 95144480

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]ethyl]morpholine?
The IUPAC name of 4-[1-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]ethyl]morpholine (CID 70705816) is 4-[1-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]ethyl]morpholine.
What is the SMILES notation for 4-[1-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]ethyl]morpholine?
The canonical SMILES for 4-[1-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]ethyl]morpholine is CC(C1CCN(Cc2ccc(Cl)c(F)c2)CC1)N1CCOCC1.
What is the InChIKey of 4-[1-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]ethyl]morpholine?
The InChIKey is PGAJNTXFQBNCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClFN2O/c1-14(22-8-10-23-11-9-22)16-4-6-21(7-5-16)13-15-2-3-17(19)18(20)12-15/h2-3,12,14,16H,4-11,13H2,1H3.
What are the key properties of 4-[1-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]ethyl]morpholine?
4-[1-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]ethyl]morpholine has a molecular weight of 340.87 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]ethyl]morpholine is sourced from PubChem (CID 70705816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).