1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-4-ethylpiperazine;hydrochloride

C19H30ClN3O4S — CID 175654577

IUPAC1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-4-ethylpiperazine;hydrochloride
SMILESCCN1CCN(C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1.Cl
InChIInChI=1S/C19H29N3O4S.ClH/c1-2-20-9-11-21(12-10-20)16-5-7-22(8-6-16)27(23,24)17-3-4-18-19(15-17)26-14-13-25-18;/h3-4,15-16H,2,5-14H2,1H3;1H
InChIKeyNKELCMKLHTVPGN-UHFFFAOYSA-N
MW431.99 g/mol
LogP1.67
Rot. Bonds4

About 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-4-ethylpiperazine;hydrochloride

1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-4-ethylpiperazine;hydrochloride (PubChem CID 175654577) has the molecular formula C19H30ClN3O4S and a molecular weight of 431.99 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-4-ethylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-4-ethylpiperazine;hydrochloride
PubChem CID175654577
Molecular FormulaC19H30ClN3O4S
Molecular Weight431.99 g/mol
Exact Mass431.16
IUPAC Name1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-4-ethylpiperazine;hydrochloride
SMILESCCN1CCN(C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1.Cl
InChIInChI=1S/C19H29N3O4S.ClH/c1-2-20-9-11-21(12-10-20)16-5-7-22(8-6-16)27(23,24)17-3-4-18-19(15-17)26-14-13-25-18;/h3-4,15-16H,2,5-14H2,1H3;1H
InChIKeyNKELCMKLHTVPGN-UHFFFAOYSA-N
XLogP1.67
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.99
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-4-ethylpiperazine;hydrochloride with MolForge

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Related Compounds

1-cycloheptyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 43816542
(3S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-3-methylpiperidine
CID 51686318
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methylpiperidine
CID 3154533
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]ethanamine
CID 119974869
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 119978298
1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]methyl]azepane
CID 50848210
(2S)-4-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]-2-methylmorpholine
CID 51957354
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
CID 119929368
ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate
CID 1075972
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 91815062
4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine
CID 1129609
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-N-methylacetamide
CID 48737542

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-4-ethylpiperazine;hydrochloride?
The IUPAC name of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-4-ethylpiperazine;hydrochloride (CID 175654577) is 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-4-ethylpiperazine;hydrochloride.
What is the SMILES notation for 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-4-ethylpiperazine;hydrochloride?
The canonical SMILES for 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-4-ethylpiperazine;hydrochloride is CCN1CCN(C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1.Cl.
What is the InChIKey of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-4-ethylpiperazine;hydrochloride?
The InChIKey is NKELCMKLHTVPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S.ClH/c1-2-20-9-11-21(12-10-20)16-5-7-22(8-6-16)27(23,24)17-3-4-18-19(15-17)26-14-13-25-18;/h3-4,15-16H,2,5-14H2,1H3;1H.
What are the key properties of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-4-ethylpiperazine;hydrochloride?
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-4-ethylpiperazine;hydrochloride has a molecular weight of 431.99 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-4-ethylpiperazine;hydrochloride is sourced from PubChem (CID 175654577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).