4-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine

C19H20ClNO2 — CID 59446722

IUPAC4-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
SMILESClc1ccc(C2(c3ccc4c(c3)OCCO4)CCNCC2)cc1
InChIInChI=1S/C19H20ClNO2/c20-16-4-1-14(2-5-16)19(7-9-21-10-8-19)15-3-6-17-18(13-15)23-12-11-22-17/h1-6,13,21H,7-12H2
InChIKeyCBCSILKXHLCHKN-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.78
Rot. Bonds2

About 4-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine

4-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine (PubChem CID 59446722) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
PubChem CID59446722
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name4-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
SMILESClc1ccc(C2(c3ccc4c(c3)OCCO4)CCNCC2)cc1
InChIInChI=1S/C19H20ClNO2/c20-16-4-1-14(2-5-16)19(7-9-21-10-8-19)15-3-6-17-18(13-15)23-12-11-22-17/h1-6,13,21H,7-12H2
InChIKeyCBCSILKXHLCHKN-UHFFFAOYSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine
CID 83822992
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)azepan-4-ol
CID 103982844
4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide
CID 113091319
4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine
CID 83822990
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-3-ol
CID 55213394
3-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-ol
CID 63586788
2-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 66465592
N-[1-(4-chlorophenyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113091090
4-(4-bromophenyl)-4-(4-chlorophenyl)-1-methylpiperidine;4-(4-bromophenyl)-4-(4-chlorophenyl)piperidine;hydrochloride
CID 157460819
N-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 55451108
N-[1-(4-chlorophenyl)cyclobutyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46966635
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperidin-4-yl)methanone
CID 116567636

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine?
The IUPAC name of 4-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine (CID 59446722) is 4-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine.
What is the SMILES notation for 4-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine?
The canonical SMILES for 4-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine is Clc1ccc(C2(c3ccc4c(c3)OCCO4)CCNCC2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine?
The InChIKey is CBCSILKXHLCHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c20-16-4-1-14(2-5-16)19(7-9-21-10-8-19)15-3-6-17-18(13-15)23-12-11-22-17/h1-6,13,21H,7-12H2.
What are the key properties of 4-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine?
4-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine has a molecular weight of 329.83 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine is sourced from PubChem (CID 59446722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).