3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiomorpholine

C17H27N3S — CID 66422719

IUPAC3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiomorpholine
SMILESCN1CCN(CCC2CSCCN2)C(c2ccccc2)C1
InChIInChI=1S/C17H27N3S/c1-19-10-11-20(9-7-16-14-21-12-8-18-16)17(13-19)15-5-3-2-4-6-15/h2-6,16-18H,7-14H2,1H3
InChIKeyUHRDYQIHIQEJPE-UHFFFAOYSA-N
MW305.49 g/mol
LogP2.07
Rot. Bonds4

About 3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiomorpholine

3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiomorpholine (PubChem CID 66422719) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is 3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiomorpholine.

Molecular Properties

Compound Name3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiomorpholine
PubChem CID66422719
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC Name3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiomorpholine
SMILESCN1CCN(CCC2CSCCN2)C(c2ccccc2)C1
InChIInChI=1S/C17H27N3S/c1-19-10-11-20(9-7-16-14-21-12-8-18-16)17(13-19)15-5-3-2-4-6-15/h2-6,16-18H,7-14H2,1H3
InChIKeyUHRDYQIHIQEJPE-UHFFFAOYSA-N
XLogP2.07
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-benzylpiperidin-1-yl)ethyl]thiomorpholine
CID 66422118
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
3-(4-methyl-2-phenylpiperazin-1-yl)propanal
CID 63039379
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
3-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine
CID 66422116
(2R)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-2-ol
CID 113354637
3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine
CID 112734466
7-phenyl-1-(2-thiomorpholin-3-ylacetyl)-1,4-diazepan-5-one;hydrochloride
CID 119937231
1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine
CID 167753879
3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one
CID 43229060
3-[2-(2,3-dimethylpiperidin-1-yl)ethyl]thiomorpholine
CID 66420348
[2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine
CID 18070759

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiomorpholine?
The IUPAC name of 3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiomorpholine (CID 66422719) is 3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiomorpholine.
What is the SMILES notation for 3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiomorpholine?
The canonical SMILES for 3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiomorpholine is CN1CCN(CCC2CSCCN2)C(c2ccccc2)C1.
What is the InChIKey of 3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiomorpholine?
The InChIKey is UHRDYQIHIQEJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-19-10-11-20(9-7-16-14-21-12-8-18-16)17(13-19)15-5-3-2-4-6-15/h2-6,16-18H,7-14H2,1H3.
What are the key properties of 3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiomorpholine?
3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiomorpholine has a molecular weight of 305.49 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiomorpholine is sourced from PubChem (CID 66422719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).