10-[3-(4-propan-2-ylpiperazin-1-yl)propyl]phenothiazine

C22H29N3S — CID 3062424

IUPAC10-[3-(4-propan-2-ylpiperazin-1-yl)propyl]phenothiazine
SMILESCC(C)N1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1
InChIInChI=1S/C22H29N3S/c1-18(2)24-16-14-23(15-17-24)12-7-13-25-19-8-3-5-10-21(19)26-22-11-6-4-9-20(22)25/h3-6,8-11,18H,7,12-17H2,1-2H3
InChIKeyCWWKIAKUQABPFP-UHFFFAOYSA-N
MW367.56 g/mol
LogP4.71
Rot. Bonds5

About 10-[3-(4-propan-2-ylpiperazin-1-yl)propyl]phenothiazine

10-[3-(4-propan-2-ylpiperazin-1-yl)propyl]phenothiazine (PubChem CID 3062424) has the molecular formula C22H29N3S and a molecular weight of 367.56 g/mol. Its IUPAC name is 10-[3-(4-propan-2-ylpiperazin-1-yl)propyl]phenothiazine.

Molecular Properties

Compound Name10-[3-(4-propan-2-ylpiperazin-1-yl)propyl]phenothiazine
PubChem CID3062424
Molecular FormulaC22H29N3S
Molecular Weight367.56 g/mol
Exact Mass367.21
IUPAC Name10-[3-(4-propan-2-ylpiperazin-1-yl)propyl]phenothiazine
SMILESCC(C)N1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1
InChIInChI=1S/C22H29N3S/c1-18(2)24-16-14-23(15-17-24)12-7-13-25-19-8-3-5-10-21(19)26-22-11-6-4-9-20(22)25/h3-6,8-11,18H,7,12-17H2,1-2H3
InChIKeyCWWKIAKUQABPFP-UHFFFAOYSA-N
XLogP4.71
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 54.71
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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Frequently Asked Questions

What is the IUPAC name of 10-[3-(4-propan-2-ylpiperazin-1-yl)propyl]phenothiazine?
The IUPAC name of 10-[3-(4-propan-2-ylpiperazin-1-yl)propyl]phenothiazine (CID 3062424) is 10-[3-(4-propan-2-ylpiperazin-1-yl)propyl]phenothiazine.
What is the SMILES notation for 10-[3-(4-propan-2-ylpiperazin-1-yl)propyl]phenothiazine?
The canonical SMILES for 10-[3-(4-propan-2-ylpiperazin-1-yl)propyl]phenothiazine is CC(C)N1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1.
What is the InChIKey of 10-[3-(4-propan-2-ylpiperazin-1-yl)propyl]phenothiazine?
The InChIKey is CWWKIAKUQABPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3S/c1-18(2)24-16-14-23(15-17-24)12-7-13-25-19-8-3-5-10-21(19)26-22-11-6-4-9-20(22)25/h3-6,8-11,18H,7,12-17H2,1-2H3.
What are the key properties of 10-[3-(4-propan-2-ylpiperazin-1-yl)propyl]phenothiazine?
10-[3-(4-propan-2-ylpiperazin-1-yl)propyl]phenothiazine has a molecular weight of 367.56 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4-propan-2-ylpiperazin-1-yl)propyl]phenothiazine is sourced from PubChem (CID 3062424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).