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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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).