2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine

C21H25ClN2S — CID 91189006

IUPAC2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine
SMILESCC1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
InChIInChI=1S/C21H25ClN2S/c1-16-9-13-23(14-10-16)11-4-12-24-18-5-2-3-6-20(18)25-21-8-7-17(22)15-19(21)24/h2-3,5-8,15-16H,4,9-14H2,1H3
InChIKeyXWSCPBSPBPBPSU-UHFFFAOYSA-N
MW372.97 g/mol
LogP6.06
Rot. Bonds4

About 2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine

2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine (PubChem CID 91189006) has the molecular formula C21H25ClN2S and a molecular weight of 372.97 g/mol. Its IUPAC name is 2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine.

Molecular Properties

Compound Name2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine
PubChem CID91189006
Molecular FormulaC21H25ClN2S
Molecular Weight372.97 g/mol
Exact Mass372.14
IUPAC Name2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine
SMILESCC1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
InChIInChI=1S/C21H25ClN2S/c1-16-9-13-23(14-10-16)11-4-12-24-18-5-2-3-6-20(18)25-21-8-7-17(22)15-19(21)24/h2-3,5-8,15-16H,4,9-14H2,1H3
InChIKeyXWSCPBSPBPBPSU-UHFFFAOYSA-N
XLogP6.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.97
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine?
The IUPAC name of 2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine (CID 91189006) is 2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine.
What is the SMILES notation for 2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine?
The canonical SMILES for 2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine is CC1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.
What is the InChIKey of 2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine?
The InChIKey is XWSCPBSPBPBPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2S/c1-16-9-13-23(14-10-16)11-4-12-24-18-5-2-3-6-20(18)25-21-8-7-17(22)15-19(21)24/h2-3,5-8,15-16H,4,9-14H2,1H3.
What are the key properties of 2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine?
2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine has a molecular weight of 372.97 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine is sourced from PubChem (CID 91189006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).