1-[1-(1,3-benzodioxol-5-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine

C18H26N2O4S — CID 138628017

IUPAC1-[1-(1,3-benzodioxol-5-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)CC1
InChIInChI=1S/C18H26N2O4S/c1-14-4-8-19(9-5-14)15-6-10-20(11-7-15)25(21,22)16-2-3-17-18(12-16)24-13-23-17/h2-3,12,14-15H,4-11,13H2,1H3
InChIKeyYCTNQZQYWKEYOQ-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.30
Rot. Bonds3

About 1-[1-(1,3-benzodioxol-5-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine

1-[1-(1,3-benzodioxol-5-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine (PubChem CID 138628017) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[1-(1,3-benzodioxol-5-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine
PubChem CID138628017
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name1-[1-(1,3-benzodioxol-5-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)CC1
InChIInChI=1S/C18H26N2O4S/c1-14-4-8-19(9-5-14)15-6-10-20(11-7-15)25(21,22)16-2-3-17-18(12-16)24-13-23-17/h2-3,12,14-15H,4-11,13H2,1H3
InChIKeyYCTNQZQYWKEYOQ-UHFFFAOYSA-N
XLogP2.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tasin-1
CID 1329829
1-[1-(1,3-Benzodioxol-4-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine
CID 138628016
1-[1-(3,4-Dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146628301
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-methylpiperidine
CID 761426
4-[4-[4-(1,3-Benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]-1-propylsulfonylpiperidine
CID 9807612
4-[4-[4-(1,3-Benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]-1-ethylsulfonylpiperidine
CID 9871871
4-[4-[4-(1,3-Benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]-1-butylsulfonylpiperidine
CID 9894136
1-[2-[(2R)-1-[(3-Methoxyphenyl)sulfonyl]-2-pyrrolidinyl]ethyl]-4-methylpiperidine
CID 10499156
1-[2-[(2S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
CID 44368705
4-[4-[4-(1,3-Benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]-1-propan-2-ylsulfonylpiperidine
CID 44382652
[1-(3,4-Dimethoxy-benzenesulfonyl)-piperidin-4-yl]-piperidin-1-yl-methanone
CID 650255
1-[1-(3-Methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 138627962

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine?
The IUPAC name of 1-[1-(1,3-benzodioxol-5-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine (CID 138628017) is 1-[1-(1,3-benzodioxol-5-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine?
The canonical SMILES for 1-[1-(1,3-benzodioxol-5-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine is CC1CCN(C2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)CC1.
What is the InChIKey of 1-[1-(1,3-benzodioxol-5-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine?
The InChIKey is YCTNQZQYWKEYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-14-4-8-19(9-5-14)15-6-10-20(11-7-15)25(21,22)16-2-3-17-18(12-16)24-13-23-17/h2-3,12,14-15H,4-11,13H2,1H3.
What are the key properties of 1-[1-(1,3-benzodioxol-5-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine?
1-[1-(1,3-benzodioxol-5-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine has a molecular weight of 366.48 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzodioxol-5-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine is sourced from PubChem (CID 138628017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).