3-[(4-cyclopentylpiperazin-1-yl)methyl]thiomorpholine

C14H27N3S — CID 82918140

IUPAC3-[(4-cyclopentylpiperazin-1-yl)methyl]thiomorpholine
SMILESC1CCC(N2CCN(CC3CSCCN3)CC2)C1
InChIInChI=1S/C14H27N3S/c1-2-4-14(3-1)17-8-6-16(7-9-17)11-13-12-18-10-5-15-13/h13-15H,1-12H2
InChIKeyVZYICHIOOTYDFY-UHFFFAOYSA-N
MW269.46 g/mol
LogP1.25
Rot. Bonds3

About 3-[(4-cyclopentylpiperazin-1-yl)methyl]thiomorpholine

3-[(4-cyclopentylpiperazin-1-yl)methyl]thiomorpholine (PubChem CID 82918140) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 3-[(4-cyclopentylpiperazin-1-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name3-[(4-cyclopentylpiperazin-1-yl)methyl]thiomorpholine
PubChem CID82918140
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name3-[(4-cyclopentylpiperazin-1-yl)methyl]thiomorpholine
SMILESC1CCC(N2CCN(CC3CSCCN3)CC2)C1
InChIInChI=1S/C14H27N3S/c1-2-4-14(3-1)17-8-6-16(7-9-17)11-13-12-18-10-5-15-13/h13-15H,1-12H2
InChIKeyVZYICHIOOTYDFY-UHFFFAOYSA-N
XLogP1.25
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941029
1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 126542421
N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119941128
3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiomorpholine
CID 82916473
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]thiomorpholine
CID 82916644
1-[4-(oxan-4-yl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119942338
4-[[(2R)-piperidin-2-yl]methyl]thiomorpholine
CID 28787643
3-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]thiomorpholine
CID 66420355
N,N-diethyl-1-(thiomorpholin-3-ylmethyl)pyrrolidin-3-amine
CID 82916049
1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66422097
3-(thiomorpholin-3-ylmethyl)thiomorpholine
CID 68605296
3-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine
CID 66422116

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopentylpiperazin-1-yl)methyl]thiomorpholine?
The IUPAC name of 3-[(4-cyclopentylpiperazin-1-yl)methyl]thiomorpholine (CID 82918140) is 3-[(4-cyclopentylpiperazin-1-yl)methyl]thiomorpholine.
What is the SMILES notation for 3-[(4-cyclopentylpiperazin-1-yl)methyl]thiomorpholine?
The canonical SMILES for 3-[(4-cyclopentylpiperazin-1-yl)methyl]thiomorpholine is C1CCC(N2CCN(CC3CSCCN3)CC2)C1.
What is the InChIKey of 3-[(4-cyclopentylpiperazin-1-yl)methyl]thiomorpholine?
The InChIKey is VZYICHIOOTYDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-2-4-14(3-1)17-8-6-16(7-9-17)11-13-12-18-10-5-15-13/h13-15H,1-12H2.
What are the key properties of 3-[(4-cyclopentylpiperazin-1-yl)methyl]thiomorpholine?
3-[(4-cyclopentylpiperazin-1-yl)methyl]thiomorpholine has a molecular weight of 269.46 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopentylpiperazin-1-yl)methyl]thiomorpholine is sourced from PubChem (CID 82918140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).