4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine

C16H25N3S — CID 91828439

IUPAC4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine
SMILESc1ccc(N2CCN(CCN3CCSCC3)CC2)cc1
InChIInChI=1S/C16H25N3S/c1-2-4-16(5-3-1)19-10-8-17(9-11-19)6-7-18-12-14-20-15-13-18/h1-5H,6-15H2
InChIKeyCNVKOVSXZNGXQZ-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.86
Rot. Bonds4

About 4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine

4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine (PubChem CID 91828439) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine.

Molecular Properties

Compound Name4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine
PubChem CID91828439
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine
SMILESc1ccc(N2CCN(CCN3CCSCC3)CC2)cc1
InChIInChI=1S/C16H25N3S/c1-2-4-16(5-3-1)19-10-8-17(9-11-19)6-7-18-12-14-20-15-13-18/h1-5H,6-15H2
InChIKeyCNVKOVSXZNGXQZ-UHFFFAOYSA-N
XLogP1.86
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-4-(3,3,3-trifluoropropyl)piperazine
CID 141293309
13-phenyl-1,5,9-trithia-13-azacyclohexadecane
CID 44623274
4-phenylthiomorpholine;pyrrolidine
CID 21333601
ethane;N-[2-(4-phenylpiperazin-1-yl)ethyl]methanimine
CID 91214897
1-(2-methylsulfonylethyl)-4-phenylpiperazine
CID 70946596
1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
CID 7047121
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
(1R,6S)-9-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 91839382
1-phenyl-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine
CID 142709635
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 10684726

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine?
The IUPAC name of 4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine (CID 91828439) is 4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine.
What is the SMILES notation for 4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine?
The canonical SMILES for 4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine is c1ccc(N2CCN(CCN3CCSCC3)CC2)cc1.
What is the InChIKey of 4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine?
The InChIKey is CNVKOVSXZNGXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-2-4-16(5-3-1)19-10-8-17(9-11-19)6-7-18-12-14-20-15-13-18/h1-5H,6-15H2.
What are the key properties of 4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine?
4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine has a molecular weight of 291.46 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine is sourced from PubChem (CID 91828439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).