2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine

C19H22ClN3S — CID 10451115

IUPAC2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine
SMILESClc1ccc2c(c1)N(CCCN1CCNCC1)c1ccccc1S2
InChIInChI=1S/C19H22ClN3S/c20-15-6-7-19-17(14-15)23(16-4-1-2-5-18(16)24-19)11-3-10-22-12-8-21-9-13-22/h1-2,4-7,14,21H,3,8-13H2
InChIKeyZWIQAXTYRCAVFE-UHFFFAOYSA-N
MW359.93 g/mol
LogP4.24
Rot. Bonds4

About 2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine

2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine (PubChem CID 10451115) has the molecular formula C19H22ClN3S and a molecular weight of 359.93 g/mol. Its IUPAC name is 2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine.

Molecular Properties

Compound Name2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine
PubChem CID10451115
Molecular FormulaC19H22ClN3S
Molecular Weight359.93 g/mol
Exact Mass359.12
IUPAC Name2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine
SMILESClc1ccc2c(c1)N(CCCN1CCNCC1)c1ccccc1S2
InChIInChI=1S/C19H22ClN3S/c20-15-6-7-19-17(14-15)23(16-4-1-2-5-18(16)24-19)11-3-10-22-12-8-21-9-13-22/h1-2,4-7,14,21H,3,8-13H2
InChIKeyZWIQAXTYRCAVFE-UHFFFAOYSA-N
XLogP4.24
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.93
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Chlorpromazine
CID 2726
Perphenazine
CID 4748
Prochlorperazine
CID 4917
Chlorpromazine Hydrochloride
CID 6240
Perazine
CID 4744
Prochlorperazine Edisylate
CID 91499
Pipamazine
CID 6761
Chlorproethazine
CID 65750
2-Chlorophenothiazine
CID 7088
Spiclomazine
CID 65714
Desmonomethylpromazine
CID 28315
N,N-Didemethylchlorpromazine
CID 74981

Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine?
The IUPAC name of 2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine (CID 10451115) is 2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine.
What is the SMILES notation for 2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine?
The canonical SMILES for 2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine is Clc1ccc2c(c1)N(CCCN1CCNCC1)c1ccccc1S2.
What is the InChIKey of 2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine?
The InChIKey is ZWIQAXTYRCAVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3S/c20-15-6-7-19-17(14-15)23(16-4-1-2-5-18(16)24-19)11-3-10-22-12-8-21-9-13-22/h1-2,4-7,14,21H,3,8-13H2.
What are the key properties of 2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine?
2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine has a molecular weight of 359.93 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine is sourced from PubChem (CID 10451115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).