2-chloro-10-(2-piperidin-4-ylethyl)phenoxazine

C19H21ClN2O — CID 146037592

IUPAC2-chloro-10-(2-piperidin-4-ylethyl)phenoxazine
SMILESClc1ccc2c(c1)N(CCC1CCNCC1)c1ccccc1O2
InChIInChI=1S/C19H21ClN2O/c20-15-5-6-19-17(13-15)22(12-9-14-7-10-21-11-8-14)16-3-1-2-4-18(16)23-19/h1-6,13-14,21H,7-12H2
InChIKeyFAAYNSPZJRWJJC-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.97
Rot. Bonds3

About 2-chloro-10-(2-piperidin-4-ylethyl)phenoxazine

2-chloro-10-(2-piperidin-4-ylethyl)phenoxazine (PubChem CID 146037592) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-chloro-10-(2-piperidin-4-ylethyl)phenoxazine.

Molecular Properties

Compound Name2-chloro-10-(2-piperidin-4-ylethyl)phenoxazine
PubChem CID146037592
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name2-chloro-10-(2-piperidin-4-ylethyl)phenoxazine
SMILESClc1ccc2c(c1)N(CCC1CCNCC1)c1ccccc1O2
InChIInChI=1S/C19H21ClN2O/c20-15-5-6-19-17(13-15)22(12-9-14-7-10-21-11-8-14)16-3-1-2-4-18(16)23-19/h1-6,13-14,21H,7-12H2
InChIKeyFAAYNSPZJRWJJC-UHFFFAOYSA-N
XLogP4.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-(2-piperidin-4-ylethyl)phenoxazine?
The IUPAC name of 2-chloro-10-(2-piperidin-4-ylethyl)phenoxazine (CID 146037592) is 2-chloro-10-(2-piperidin-4-ylethyl)phenoxazine.
What is the SMILES notation for 2-chloro-10-(2-piperidin-4-ylethyl)phenoxazine?
The canonical SMILES for 2-chloro-10-(2-piperidin-4-ylethyl)phenoxazine is Clc1ccc2c(c1)N(CCC1CCNCC1)c1ccccc1O2.
What is the InChIKey of 2-chloro-10-(2-piperidin-4-ylethyl)phenoxazine?
The InChIKey is FAAYNSPZJRWJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-15-5-6-19-17(13-15)22(12-9-14-7-10-21-11-8-14)16-3-1-2-4-18(16)23-19/h1-6,13-14,21H,7-12H2.
What are the key properties of 2-chloro-10-(2-piperidin-4-ylethyl)phenoxazine?
2-chloro-10-(2-piperidin-4-ylethyl)phenoxazine has a molecular weight of 328.84 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-(2-piperidin-4-ylethyl)phenoxazine is sourced from PubChem (CID 146037592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).