10-(piperidin-3-ylmethyl)phenothiazine;hydrochloride

C18H21ClN2S — CID 146675496

IUPAC10-(piperidin-3-ylmethyl)phenothiazine;hydrochloride
SMILESCl.c1ccc2c(c1)Sc1ccccc1N2CC1CCCNC1
InChIInChI=1S/C18H20N2S.ClH/c1-3-9-17-15(7-1)20(13-14-6-5-11-19-12-14)16-8-2-4-10-18(16)21-17;/h1-4,7-10,14,19H,5-6,11-13H2;1H
InChIKeyNWIXTDCRBOCVLC-UHFFFAOYSA-N
MW332.90 g/mol
LogP4.71
Rot. Bonds2

About 10-(piperidin-3-ylmethyl)phenothiazine;hydrochloride

10-(piperidin-3-ylmethyl)phenothiazine;hydrochloride (PubChem CID 146675496) has the molecular formula C18H21ClN2S and a molecular weight of 332.90 g/mol. Its IUPAC name is 10-(piperidin-3-ylmethyl)phenothiazine;hydrochloride.

Molecular Properties

Compound Name10-(piperidin-3-ylmethyl)phenothiazine;hydrochloride
PubChem CID146675496
Molecular FormulaC18H21ClN2S
Molecular Weight332.90 g/mol
Exact Mass332.11
IUPAC Name10-(piperidin-3-ylmethyl)phenothiazine;hydrochloride
SMILESCl.c1ccc2c(c1)Sc1ccccc1N2CC1CCCNC1
InChIInChI=1S/C18H20N2S.ClH/c1-3-9-17-15(7-1)20(13-14-6-5-11-19-12-14)16-8-2-4-10-18(16)21-17;/h1-4,7-10,14,19H,5-6,11-13H2;1H
InChIKeyNWIXTDCRBOCVLC-UHFFFAOYSA-N
XLogP4.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(piperidin-3-ylmethyl)phenothiazine;hydrochloride?
The IUPAC name of 10-(piperidin-3-ylmethyl)phenothiazine;hydrochloride (CID 146675496) is 10-(piperidin-3-ylmethyl)phenothiazine;hydrochloride.
What is the SMILES notation for 10-(piperidin-3-ylmethyl)phenothiazine;hydrochloride?
The canonical SMILES for 10-(piperidin-3-ylmethyl)phenothiazine;hydrochloride is Cl.c1ccc2c(c1)Sc1ccccc1N2CC1CCCNC1.
What is the InChIKey of 10-(piperidin-3-ylmethyl)phenothiazine;hydrochloride?
The InChIKey is NWIXTDCRBOCVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S.ClH/c1-3-9-17-15(7-1)20(13-14-6-5-11-19-12-14)16-8-2-4-10-18(16)21-17;/h1-4,7-10,14,19H,5-6,11-13H2;1H.
What are the key properties of 10-(piperidin-3-ylmethyl)phenothiazine;hydrochloride?
10-(piperidin-3-ylmethyl)phenothiazine;hydrochloride has a molecular weight of 332.90 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(piperidin-3-ylmethyl)phenothiazine;hydrochloride is sourced from PubChem (CID 146675496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).