3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-methylsulfanylbutan-1-ol

C15H30N2OS — CID 103785151

IUPAC3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C15H30N2OS/c1-12(2)5-8-17-9-6-14(7-10-17)16-13(3)15(11-18)19-4/h5,13-16,18H,6-11H2,1-4H3
InChIKeyUZKSFUFEQSBBSG-UHFFFAOYSA-N
MW286.49 g/mol
LogP2.12
Rot. Bonds7

About 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-methylsulfanylbutan-1-ol

3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-methylsulfanylbutan-1-ol (PubChem CID 103785151) has the molecular formula C15H30N2OS and a molecular weight of 286.49 g/mol. Its IUPAC name is 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
PubChem CID103785151
Molecular FormulaC15H30N2OS
Molecular Weight286.49 g/mol
Exact Mass286.21
IUPAC Name3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C15H30N2OS/c1-12(2)5-8-17-9-6-14(7-10-17)16-13(3)15(11-18)19-4/h5,13-16,18H,6-11H2,1-4H3
InChIKeyUZKSFUFEQSBBSG-UHFFFAOYSA-N
XLogP2.12
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-methylsulfanylbutan-1-ol (CID 103785151) is 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)NC1CCN(CC=C(C)C)CC1.
What is the InChIKey of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is UZKSFUFEQSBBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-12(2)5-8-17-9-6-14(7-10-17)16-13(3)15(11-18)19-4/h5,13-16,18H,6-11H2,1-4H3.
What are the key properties of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-methylsulfanylbutan-1-ol?
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 286.49 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 103785151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).