(4-morpholin-4-ylphenyl)-piperidin-1-ylmethanethione

C16H22N2OS — CID 951939

IUPAC(4-morpholin-4-ylphenyl)-piperidin-1-ylmethanethione
SMILESS=C(c1ccc(N2CCOCC2)cc1)N1CCCCC1
InChIInChI=1S/C16H22N2OS/c20-16(18-8-2-1-3-9-18)14-4-6-15(7-5-14)17-10-12-19-13-11-17/h4-7H,1-3,8-13H2
InChIKeyMTKFCQDYIWGRDA-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.68
Rot. Bonds2

About (4-morpholin-4-ylphenyl)-piperidin-1-ylmethanethione

(4-morpholin-4-ylphenyl)-piperidin-1-ylmethanethione (PubChem CID 951939) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is (4-morpholin-4-ylphenyl)-piperidin-1-ylmethanethione.

Molecular Properties

Compound Name(4-morpholin-4-ylphenyl)-piperidin-1-ylmethanethione
PubChem CID951939
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(4-morpholin-4-ylphenyl)-piperidin-1-ylmethanethione
SMILESS=C(c1ccc(N2CCOCC2)cc1)N1CCCCC1
InChIInChI=1S/C16H22N2OS/c20-16(18-8-2-1-3-9-18)14-4-6-15(7-5-14)17-10-12-19-13-11-17/h4-7H,1-3,8-13H2
InChIKeyMTKFCQDYIWGRDA-UHFFFAOYSA-N
XLogP2.68
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylphenyl)-piperidin-1-ylmethanethione?
The IUPAC name of (4-morpholin-4-ylphenyl)-piperidin-1-ylmethanethione (CID 951939) is (4-morpholin-4-ylphenyl)-piperidin-1-ylmethanethione.
What is the SMILES notation for (4-morpholin-4-ylphenyl)-piperidin-1-ylmethanethione?
The canonical SMILES for (4-morpholin-4-ylphenyl)-piperidin-1-ylmethanethione is S=C(c1ccc(N2CCOCC2)cc1)N1CCCCC1.
What is the InChIKey of (4-morpholin-4-ylphenyl)-piperidin-1-ylmethanethione?
The InChIKey is MTKFCQDYIWGRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c20-16(18-8-2-1-3-9-18)14-4-6-15(7-5-14)17-10-12-19-13-11-17/h4-7H,1-3,8-13H2.
What are the key properties of (4-morpholin-4-ylphenyl)-piperidin-1-ylmethanethione?
(4-morpholin-4-ylphenyl)-piperidin-1-ylmethanethione has a molecular weight of 290.43 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylphenyl)-piperidin-1-ylmethanethione is sourced from PubChem (CID 951939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).