10-[2-(4-methylpiperazin-1-yl)propyl]phenothiazine

C20H25N3S — CID 3024375

IUPAC10-[2-(4-methylpiperazin-1-yl)propyl]phenothiazine
SMILESCC(CN1c2ccccc2Sc2ccccc21)N1CCN(C)CC1
InChIInChI=1S/C20H25N3S/c1-16(22-13-11-21(2)12-14-22)15-23-17-7-3-5-9-19(17)24-20-10-6-4-8-18(20)23/h3-10,16H,11-15H2,1-2H3
InChIKeySNPZNRJWQIUNDW-UHFFFAOYSA-N
MW339.51 g/mol
LogP3.93
Rot. Bonds3

About 10-[2-(4-methylpiperazin-1-yl)propyl]phenothiazine

10-[2-(4-methylpiperazin-1-yl)propyl]phenothiazine (PubChem CID 3024375) has the molecular formula C20H25N3S and a molecular weight of 339.51 g/mol. Its IUPAC name is 10-[2-(4-methylpiperazin-1-yl)propyl]phenothiazine.

Molecular Properties

Compound Name10-[2-(4-methylpiperazin-1-yl)propyl]phenothiazine
PubChem CID3024375
Molecular FormulaC20H25N3S
Molecular Weight339.51 g/mol
Exact Mass339.18
IUPAC Name10-[2-(4-methylpiperazin-1-yl)propyl]phenothiazine
SMILESCC(CN1c2ccccc2Sc2ccccc21)N1CCN(C)CC1
InChIInChI=1S/C20H25N3S/c1-16(22-13-11-21(2)12-14-22)15-23-17-7-3-5-9-19(17)24-20-10-6-4-8-18(20)23/h3-10,16H,11-15H2,1-2H3
InChIKeySNPZNRJWQIUNDW-UHFFFAOYSA-N
XLogP3.93
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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

10-[2-(4-benzylpiperazin-1-yl)propyl]phenothiazine
CID 3029936
10-(2-methyl-4-pyrrolidin-1-ylbutyl)phenothiazine
CID 15882871
1-phenothiazin-10-ylpropan-2-amine;hydroiodide
CID 173450767
azane;10-(2-chloropropyl)phenothiazine
CID 70621156
N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride
CID 68867493
10-(2,3,3-trimethylbutyl)phenothiazine
CID 134538471
diethyl-methyl-[(2R)-1-phenothiazin-10-ylpropan-2-yl]azanium
CID 40508051
N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide
CID 138399821
1-[(2-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline
CID 170155382
N-(1-phenothiazin-10-ylpropan-2-yl)methanimine oxide
CID 12715275
(2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
CID 15558621
N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;dihydrochloride
CID 23615719

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4-methylpiperazin-1-yl)propyl]phenothiazine?
The IUPAC name of 10-[2-(4-methylpiperazin-1-yl)propyl]phenothiazine (CID 3024375) is 10-[2-(4-methylpiperazin-1-yl)propyl]phenothiazine.
What is the SMILES notation for 10-[2-(4-methylpiperazin-1-yl)propyl]phenothiazine?
The canonical SMILES for 10-[2-(4-methylpiperazin-1-yl)propyl]phenothiazine is CC(CN1c2ccccc2Sc2ccccc21)N1CCN(C)CC1.
What is the InChIKey of 10-[2-(4-methylpiperazin-1-yl)propyl]phenothiazine?
The InChIKey is SNPZNRJWQIUNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3S/c1-16(22-13-11-21(2)12-14-22)15-23-17-7-3-5-9-19(17)24-20-10-6-4-8-18(20)23/h3-10,16H,11-15H2,1-2H3.
What are the key properties of 10-[2-(4-methylpiperazin-1-yl)propyl]phenothiazine?
10-[2-(4-methylpiperazin-1-yl)propyl]phenothiazine has a molecular weight of 339.51 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4-methylpiperazin-1-yl)propyl]phenothiazine is sourced from PubChem (CID 3024375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).