3-(4-phenylpiperazin-1-yl)propyl sulfite

C13H19N2O3S- — CID 174503214

IUPAC3-(4-phenylpiperazin-1-yl)propyl sulfite
SMILESO=S([O-])OCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H20N2O3S/c16-19(17)18-12-4-7-14-8-10-15(11-9-14)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,16,17)/p-1
InChIKeyGJJUDPZHESUIFK-UHFFFAOYSA-M
MW283.37 g/mol
LogP1.01
Rot. Bonds6

About 3-(4-phenylpiperazin-1-yl)propyl sulfite

3-(4-phenylpiperazin-1-yl)propyl sulfite (PubChem CID 174503214) has the molecular formula C13H19N2O3S- and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(4-phenylpiperazin-1-yl)propyl sulfite.

Molecular Properties

Compound Name3-(4-phenylpiperazin-1-yl)propyl sulfite
PubChem CID174503214
Molecular FormulaC13H19N2O3S-
Molecular Weight283.37 g/mol
Exact Mass283.11
IUPAC Name3-(4-phenylpiperazin-1-yl)propyl sulfite
SMILESO=S([O-])OCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H20N2O3S/c16-19(17)18-12-4-7-14-8-10-15(11-9-14)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,16,17)/p-1
InChIKeyGJJUDPZHESUIFK-UHFFFAOYSA-M
XLogP1.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
3-pyrrolidin-1-ylpropyl sulfite
CID 174785148
3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl sulfite
CID 174785243
2-(4-phenylpiperazin-1-yl)ethyl nitrate
CID 44569162
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
CID 132601710
4-piperazin-1-ylbutyl sulfite
CID 57144560
[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine
CID 175772124
3-(4-phenylpiperazin-1-yl)propylcarbamodithioic acid
CID 88699307
1-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidin-2-one;hydrochloride
CID 19102619
8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
CID 14014460

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylpiperazin-1-yl)propyl sulfite?
The IUPAC name of 3-(4-phenylpiperazin-1-yl)propyl sulfite (CID 174503214) is 3-(4-phenylpiperazin-1-yl)propyl sulfite.
What is the SMILES notation for 3-(4-phenylpiperazin-1-yl)propyl sulfite?
The canonical SMILES for 3-(4-phenylpiperazin-1-yl)propyl sulfite is O=S([O-])OCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(4-phenylpiperazin-1-yl)propyl sulfite?
The InChIKey is GJJUDPZHESUIFK-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H20N2O3S/c16-19(17)18-12-4-7-14-8-10-15(11-9-14)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,16,17)/p-1.
What are the key properties of 3-(4-phenylpiperazin-1-yl)propyl sulfite?
3-(4-phenylpiperazin-1-yl)propyl sulfite has a molecular weight of 283.37 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylpiperazin-1-yl)propyl sulfite is sourced from PubChem (CID 174503214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).