4-[1-(4-chlorophenyl)butyl]morpholine

C14H20ClNO — CID 3057364

IUPAC4-[1-(4-chlorophenyl)butyl]morpholine
SMILESCCCC(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C14H20ClNO/c1-2-3-14(16-8-10-17-11-9-16)12-4-6-13(15)7-5-12/h4-7,14H,2-3,8-11H2,1H3
InChIKeyBBBPXTPMAKKYGL-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.51
Rot. Bonds4

About 4-[1-(4-chlorophenyl)butyl]morpholine

4-[1-(4-chlorophenyl)butyl]morpholine (PubChem CID 3057364) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)butyl]morpholine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)butyl]morpholine
PubChem CID3057364
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-[1-(4-chlorophenyl)butyl]morpholine
SMILESCCCC(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C14H20ClNO/c1-2-3-14(16-8-10-17-11-9-16)12-4-6-13(15)7-5-12/h4-7,14H,2-3,8-11H2,1H3
InChIKeyBBBPXTPMAKKYGL-UHFFFAOYSA-N
XLogP3.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Hydroxyzine
CID 3658
Hydroxyzine Hydrochloride
CID 91513
Etodroxizine
CID 63345
Hydroxyzine monohydrochloride
CID 71612
2-(4-Chlorophenyl)-1-(4-morpholinyl)ethanethione
CID 229985
ML398
CID 72737723
(4-Chlorophenyl)(morpholino)methanethione
CID 684261
(S)-Hydroxyzine
CID 1548976
4-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanol
CID 3419898
2-(2-Chlorophenyl)-2-(morpholin-4-yl)ethylamine
CID 3847395
2-(Chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine
CID 4962062
4-[(4-Chlorophenyl)methyl]morpholine
CID 783204

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)butyl]morpholine?
The IUPAC name of 4-[1-(4-chlorophenyl)butyl]morpholine (CID 3057364) is 4-[1-(4-chlorophenyl)butyl]morpholine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)butyl]morpholine?
The canonical SMILES for 4-[1-(4-chlorophenyl)butyl]morpholine is CCCC(c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of 4-[1-(4-chlorophenyl)butyl]morpholine?
The InChIKey is BBBPXTPMAKKYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-3-14(16-8-10-17-11-9-16)12-4-6-13(15)7-5-12/h4-7,14H,2-3,8-11H2,1H3.
What are the key properties of 4-[1-(4-chlorophenyl)butyl]morpholine?
4-[1-(4-chlorophenyl)butyl]morpholine has a molecular weight of 253.77 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)butyl]morpholine is sourced from PubChem (CID 3057364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).