10-[2-(2-piperidin-1-ylethoxy)ethyl]phenoxazine

C21H26N2O2 — CID 23186725

IUPAC10-[2-(2-piperidin-1-ylethoxy)ethyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2CCOCCN1CCCCC1
InChIInChI=1S/C21H26N2O2/c1-6-12-22(13-7-1)14-16-24-17-15-23-18-8-2-4-10-20(18)25-21-11-5-3-9-19(21)23/h2-5,8-11H,1,6-7,12-17H2
InChIKeyTUHCAOXJXUCHHE-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.43
Rot. Bonds6

About 10-[2-(2-piperidin-1-ylethoxy)ethyl]phenoxazine

10-[2-(2-piperidin-1-ylethoxy)ethyl]phenoxazine (PubChem CID 23186725) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 10-[2-(2-piperidin-1-ylethoxy)ethyl]phenoxazine.

Molecular Properties

Compound Name10-[2-(2-piperidin-1-ylethoxy)ethyl]phenoxazine
PubChem CID23186725
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name10-[2-(2-piperidin-1-ylethoxy)ethyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2CCOCCN1CCCCC1
InChIInChI=1S/C21H26N2O2/c1-6-12-22(13-7-1)14-16-24-17-15-23-18-8-2-4-10-20(18)25-21-11-5-3-9-19(21)23/h2-5,8-11H,1,6-7,12-17H2
InChIKeyTUHCAOXJXUCHHE-UHFFFAOYSA-N
XLogP4.43
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[2-(2-phenoxazin-10-ylethoxy)ethyl]piperidine-3-carboxylic acid
CID 10915935
10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine
CID 59372977
10-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)phenoxazine
CID 11559847
1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)butyl]piperidine
CID 54409496
9-[2-(2-pyrrolidin-1-ylethoxy)ethyl]carbazole
CID 18593135
10-[2-(4-methylphenoxy)ethyl]phenoxazine
CID 123668404
2-piperidin-1-ylethyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 1089171
1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperidine
CID 31196285
10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazin-3-amine
CID 70121624
(3S)-3-[(4-methoxyphenyl)methyl]-4-[[4-[2-(2-piperidin-1-ylethoxy)ethoxy]phenyl]methyl]-2,3-dihydro-1,4-benzoxazine
CID 166625732
1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]piperidine
CID 2582694
1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine
CID 141183256

Frequently Asked Questions

What is the IUPAC name of 10-[2-(2-piperidin-1-ylethoxy)ethyl]phenoxazine?
The IUPAC name of 10-[2-(2-piperidin-1-ylethoxy)ethyl]phenoxazine (CID 23186725) is 10-[2-(2-piperidin-1-ylethoxy)ethyl]phenoxazine.
What is the SMILES notation for 10-[2-(2-piperidin-1-ylethoxy)ethyl]phenoxazine?
The canonical SMILES for 10-[2-(2-piperidin-1-ylethoxy)ethyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2CCOCCN1CCCCC1.
What is the InChIKey of 10-[2-(2-piperidin-1-ylethoxy)ethyl]phenoxazine?
The InChIKey is TUHCAOXJXUCHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-6-12-22(13-7-1)14-16-24-17-15-23-18-8-2-4-10-20(18)25-21-11-5-3-9-19(21)23/h2-5,8-11H,1,6-7,12-17H2.
What are the key properties of 10-[2-(2-piperidin-1-ylethoxy)ethyl]phenoxazine?
10-[2-(2-piperidin-1-ylethoxy)ethyl]phenoxazine has a molecular weight of 338.45 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(2-piperidin-1-ylethoxy)ethyl]phenoxazine is sourced from PubChem (CID 23186725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).