4-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]morpholine

C22H27ClN2O — CID 18001168

IUPAC4-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]morpholine
SMILESClc1ccc(C2CN(Cc3ccccc3)CCC2N2CCOCC2)cc1
InChIInChI=1S/C22H27ClN2O/c23-20-8-6-19(7-9-20)21-17-24(16-18-4-2-1-3-5-18)11-10-22(21)25-12-14-26-15-13-25/h1-9,21-22H,10-17H2
InChIKeyFKIPQQZMEQKVAA-UHFFFAOYSA-N
MW370.92 g/mol
LogP4.03
Rot. Bonds4

About 4-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]morpholine

4-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]morpholine (PubChem CID 18001168) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is 4-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]morpholine
PubChem CID18001168
Molecular FormulaC22H27ClN2O
Molecular Weight370.92 g/mol
Exact Mass370.18
IUPAC Name4-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]morpholine
SMILESClc1ccc(C2CN(Cc3ccccc3)CCC2N2CCOCC2)cc1
InChIInChI=1S/C22H27ClN2O/c23-20-8-6-19(7-9-20)21-17-24(16-18-4-2-1-3-5-18)11-10-22(21)25-12-14-26-15-13-25/h1-9,21-22H,10-17H2
InChIKeyFKIPQQZMEQKVAA-UHFFFAOYSA-N
XLogP4.03
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Hydroxyzine
CID 3658
Hydroxyzine Hydrochloride
CID 91513
Etodroxizine
CID 63345
Hydroxyzine monohydrochloride
CID 71612
ML398
CID 72737723
4-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanol
CID 3419898
(S)-Hydroxyzine
CID 1548976
4-[(4-Chlorophenyl)methyl]morpholine
CID 783204
4-[3-(4-Chlorophenyl)-4-methylpentyl]morpholine
CID 17583223
2-[2-[4-[(4-Chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanamine
CID 77434493
2-[2-[2-[2-[2-[4-[(4-Chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 118109114
2-[2-[4-[Bis(4-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol
CID 118109245

Frequently Asked Questions

What is the IUPAC name of 4-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]morpholine (CID 18001168) is 4-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]morpholine is Clc1ccc(C2CN(Cc3ccccc3)CCC2N2CCOCC2)cc1.
What is the InChIKey of 4-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]morpholine?
The InChIKey is FKIPQQZMEQKVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O/c23-20-8-6-19(7-9-20)21-17-24(16-18-4-2-1-3-5-18)11-10-22(21)25-12-14-26-15-13-25/h1-9,21-22H,10-17H2.
What are the key properties of 4-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]morpholine?
4-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]morpholine has a molecular weight of 370.92 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]morpholine is sourced from PubChem (CID 18001168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).