2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride

C19H23Cl2N3S — CID 178190515

IUPAC2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride
SMILESCl.Clc1ccc2c(c1)N(CCCN1CCNCC1)c1ccccc1S2
InChIInChI=1S/C19H22ClN3S.ClH/c20-15-6-7-19-17(14-15)23(16-4-1-2-5-18(16)24-19)11-3-10-22-12-8-21-9-13-22;/h1-2,4-7,14,21H,3,8-13H2;1H
InChIKeyXDAPFWSATWVVBK-UHFFFAOYSA-N
MW396.39 g/mol
LogP4.66
Rot. Bonds4

About 2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride

2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride (PubChem CID 178190515) has the molecular formula C19H23Cl2N3S and a molecular weight of 396.39 g/mol. Its IUPAC name is 2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride.

Molecular Properties

Compound Name2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride
PubChem CID178190515
Molecular FormulaC19H23Cl2N3S
Molecular Weight396.39 g/mol
Exact Mass395.10
IUPAC Name2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride
SMILESCl.Clc1ccc2c(c1)N(CCCN1CCNCC1)c1ccccc1S2
InChIInChI=1S/C19H22ClN3S.ClH/c20-15-6-7-19-17(14-15)23(16-4-1-2-5-18(16)24-19)11-3-10-22-12-8-21-9-13-22;/h1-2,4-7,14,21H,3,8-13H2;1H
InChIKeyXDAPFWSATWVVBK-UHFFFAOYSA-N
XLogP4.66
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

10-(3-piperazin-1-ylpropyl)-2-propan-2-ylphenothiazine
CID 70892769
2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine
CID 91189006
2-chloro-10-[3-(4-phenylpiperazin-1-yl)propyl]phenothiazine
CID 135251831
10-(3-piperazin-1-ylpropyl)phenothiazine-2-carboxamide
CID 25008399
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;10H-phenothiazine
CID 18787839
2-chloro-10-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]phenothiazine
CID 135251810
1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxylic acid
CID 23622737
2-chloro-10-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]phenothiazine
CID 135251804
bis((Z)-but-2-enedioic acid);bis(2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine)
CID 173171590
2-chloro-10-[3-(4-methoxy-4-phenylpiperidin-1-yl)propyl]phenothiazine;hydrate;hydrochloride
CID 21128607
4-[3-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]propyl]-N-methylaniline
CID 70515137
2-(2-chlorophenothiazin-10-yl)ethanamine
CID 71258304

Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride?
The IUPAC name of 2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride (CID 178190515) is 2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride.
What is the SMILES notation for 2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride?
The canonical SMILES for 2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride is Cl.Clc1ccc2c(c1)N(CCCN1CCNCC1)c1ccccc1S2.
What is the InChIKey of 2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride?
The InChIKey is XDAPFWSATWVVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3S.ClH/c20-15-6-7-19-17(14-15)23(16-4-1-2-5-18(16)24-19)11-3-10-22-12-8-21-9-13-22;/h1-2,4-7,14,21H,3,8-13H2;1H.
What are the key properties of 2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride?
2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride has a molecular weight of 396.39 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride is sourced from PubChem (CID 178190515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).