3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]thiomorpholine

C16H24ClN3S — CID 66420536

IUPAC3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]thiomorpholine
SMILESClc1cccc(N2CCN(CCC3CSCCN3)CC2)c1
InChIInChI=1S/C16H24ClN3S/c17-14-2-1-3-16(12-14)20-9-7-19(8-10-20)6-4-15-13-21-11-5-18-15/h1-3,12,15,18H,4-11,13H2
InChIKeyKIRASHBEBFHKCD-UHFFFAOYSA-N
MW325.91 g/mol
LogP2.56
Rot. Bonds4

About 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]thiomorpholine

3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]thiomorpholine (PubChem CID 66420536) has the molecular formula C16H24ClN3S and a molecular weight of 325.91 g/mol. Its IUPAC name is 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]thiomorpholine.

Molecular Properties

Compound Name3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]thiomorpholine
PubChem CID66420536
Molecular FormulaC16H24ClN3S
Molecular Weight325.91 g/mol
Exact Mass325.14
IUPAC Name3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]thiomorpholine
SMILESClc1cccc(N2CCN(CCC3CSCCN3)CC2)c1
InChIInChI=1S/C16H24ClN3S/c17-14-2-1-3-16(12-14)20-9-7-19(8-10-20)6-4-15-13-21-11-5-18-15/h1-3,12,15,18H,4-11,13H2
InChIKeyKIRASHBEBFHKCD-UHFFFAOYSA-N
XLogP2.56
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.91
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]thiomorpholine
CID 82916644
3-[(3-chlorophenyl)methyl]thiomorpholine
CID 82288156
3-benzyl-1-(3-chlorophenyl)piperazine
CID 64924476
1-(3-chlorophenyl)-4-[(4-methylpiperidin-2-yl)methyl]piperazine
CID 114421147
3-[2-(4-benzylpiperidin-1-yl)ethyl]thiomorpholine
CID 66422118
1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586557
(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-8-ethyl-2,8-diazaspiro[4.5]decan-1-one
CID 167661946
(3R)-1-(3-chlorophenyl)-3-methylpiperazine
CID 10822374
1-(3-chlorophenyl)-3-prop-2-enylpiperazine
CID 66967920
3-[4-(3-chlorophenyl)piperazin-1-yl]propanenitrile
CID 12726738
2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl-methanidylazanium
CID 20756629
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119936713

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]thiomorpholine?
The IUPAC name of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]thiomorpholine (CID 66420536) is 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]thiomorpholine.
What is the SMILES notation for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]thiomorpholine?
The canonical SMILES for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]thiomorpholine is Clc1cccc(N2CCN(CCC3CSCCN3)CC2)c1.
What is the InChIKey of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]thiomorpholine?
The InChIKey is KIRASHBEBFHKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3S/c17-14-2-1-3-16(12-14)20-9-7-19(8-10-20)6-4-15-13-21-11-5-18-15/h1-3,12,15,18H,4-11,13H2.
What are the key properties of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]thiomorpholine?
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]thiomorpholine has a molecular weight of 325.91 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]thiomorpholine is sourced from PubChem (CID 66420536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).