2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol

C20H27N4O3S+ — CID 9282203

IUPAC2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol
SMILESO=S(=O)(c1ccc(N2CCN(c3ccccc3O)CC2)[nH+]c1)N1CCCCC1
InChIInChI=1S/C20H26N4O3S/c25-19-7-3-2-6-18(19)22-12-14-23(15-13-22)20-9-8-17(16-21-20)28(26,27)24-10-4-1-5-11-24/h2-3,6-9,16,25H,1,4-5,10-15H2/p+1
InChIKeySRKCZTRJMZATEL-UHFFFAOYSA-O
MW403.53 g/mol
LogP1.71
Rot. Bonds4

About 2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol

2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol (PubChem CID 9282203) has the molecular formula C20H27N4O3S+ and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol
PubChem CID9282203
Molecular FormulaC20H27N4O3S+
Molecular Weight403.53 g/mol
Exact Mass403.18
IUPAC Name2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol
SMILESO=S(=O)(c1ccc(N2CCN(c3ccccc3O)CC2)[nH+]c1)N1CCCCC1
InChIInChI=1S/C20H26N4O3S/c25-19-7-3-2-6-18(19)22-12-14-23(15-13-22)20-9-8-17(16-21-20)28(26,27)24-10-4-1-5-11-24/h2-3,6-9,16,25H,1,4-5,10-15H2/p+1
InChIKeySRKCZTRJMZATEL-UHFFFAOYSA-O
XLogP1.71
TPSA78.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-piperidin-1-yl-5-piperidin-1-ylsulfonylpyridin-1-ium
CID 9196184
4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine
CID 9196183
1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium
CID 2450884
1-[(E)-3-phenylprop-2-enyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium
CID 9310868
6-[4-(2-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide
CID 9281715
2-[(2R)-2-methylpiperidin-1-yl]-5-piperidin-1-ylsulfonylpyridin-1-ium
CID 2118390
N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7550938
N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 22831307
4-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine
CID 9281205
1-methylsulfonylpiperidine;2-piperazin-1-ylphenol
CID 142156439
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]phenol
CID 9282198
azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 112759512

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol?
The IUPAC name of 2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol (CID 9282203) is 2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol is O=S(=O)(c1ccc(N2CCN(c3ccccc3O)CC2)[nH+]c1)N1CCCCC1.
What is the InChIKey of 2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol?
The InChIKey is SRKCZTRJMZATEL-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N4O3S/c25-19-7-3-2-6-18(19)22-12-14-23(15-13-22)20-9-8-17(16-21-20)28(26,27)24-10-4-1-5-11-24/h2-3,6-9,16,25H,1,4-5,10-15H2/p+1.
What are the key properties of 2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol?
2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol has a molecular weight of 403.53 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol is sourced from PubChem (CID 9282203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).