10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine

C20H25N3S — CID 4744

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IUPAC10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
SMILESCN1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1
InChIInChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3
InChIKeyWEYVCQFUGFRXOM-UHFFFAOYSA-N
MW339.51 g/mol
LogP3.93
Rot. Bonds4

About 10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine

10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine (PubChem CID 4744) has the molecular formula C20H25N3S and a molecular weight of 339.51 g/mol. Its IUPAC name is 10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine.

Molecular Properties

Compound Name10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
PubChem CID4744
Molecular FormulaC20H25N3S
Molecular Weight339.51 g/mol
Exact Mass339.18
IUPAC Name10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
SMILESCN1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1
InChIInChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3
InChIKeyWEYVCQFUGFRXOM-UHFFFAOYSA-N
XLogP3.93
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Related Compounds

Chlorpromazine
CID 2726
Trifluoperazine
CID 5566
Promethazine
CID 4927
(+-)-Trimeprazine
CID 5574
Mesoridazine
CID 4078
Promazine
CID 4926
Thioridazine
CID 5452
Prochlorperazine
CID 4917
Thiethylperazine
CID 5440
Promethazine Hydrochloride
CID 6014
Thioridazine Hydrochloride
CID 66062
Mequitazine
CID 4066

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine?
The IUPAC name of 10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine (CID 4744) is 10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine.
What is the SMILES notation for 10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine?
The canonical SMILES for 10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine is CN1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1.
What is the InChIKey of 10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine?
The InChIKey is WEYVCQFUGFRXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3.
What are the key properties of 10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine?
10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine has a molecular weight of 339.51 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine is sourced from PubChem (CID 4744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).