[3-(3-methylbut-2-enyl)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]methanol

C19H36N2O2 — CID 86283161

IUPAC[3-(3-methylbut-2-enyl)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]methanol
SMILESCC(C)=CCC1(CO)CCCN(CC(C)(C)N2CCOCC2)C1
InChIInChI=1S/C19H36N2O2/c1-17(2)6-8-19(16-22)7-5-9-20(15-19)14-18(3,4)21-10-12-23-13-11-21/h6,22H,5,7-16H2,1-4H3
InChIKeyDUHXWLBIBVNLRG-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.53
Rot. Bonds6

About [3-(3-methylbut-2-enyl)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]methanol

[3-(3-methylbut-2-enyl)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]methanol (PubChem CID 86283161) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is [3-(3-methylbut-2-enyl)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(3-methylbut-2-enyl)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]methanol
PubChem CID86283161
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Name[3-(3-methylbut-2-enyl)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]methanol
SMILESCC(C)=CCC1(CO)CCCN(CC(C)(C)N2CCOCC2)C1
InChIInChI=1S/C19H36N2O2/c1-17(2)6-8-19(16-22)7-5-9-20(15-19)14-18(3,4)21-10-12-23-13-11-21/h6,22H,5,7-16H2,1-4H3
InChIKeyDUHXWLBIBVNLRG-UHFFFAOYSA-N
XLogP2.53
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.53
H-Bond Donors ≤ 51
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-(3-methylbut-2-enyl)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]methanol?
The IUPAC name of [3-(3-methylbut-2-enyl)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]methanol (CID 86283161) is [3-(3-methylbut-2-enyl)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-(3-methylbut-2-enyl)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-(3-methylbut-2-enyl)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]methanol is CC(C)=CCC1(CO)CCCN(CC(C)(C)N2CCOCC2)C1.
What is the InChIKey of [3-(3-methylbut-2-enyl)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]methanol?
The InChIKey is DUHXWLBIBVNLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-17(2)6-8-19(16-22)7-5-9-20(15-19)14-18(3,4)21-10-12-23-13-11-21/h6,22H,5,7-16H2,1-4H3.
What are the key properties of [3-(3-methylbut-2-enyl)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]methanol?
[3-(3-methylbut-2-enyl)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]methanol has a molecular weight of 324.51 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbut-2-enyl)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]methanol is sourced from PubChem (CID 86283161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).