[1-(2-methyl-2-morpholin-4-ylpropyl)-3-prop-2-enylpiperidin-3-yl]methanol

C17H32N2O2 — CID 72878383

IUPAC[1-(2-methyl-2-morpholin-4-ylpropyl)-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CCC1(CO)CCCN(CC(C)(C)N2CCOCC2)C1
InChIInChI=1S/C17H32N2O2/c1-4-6-17(15-20)7-5-8-18(14-17)13-16(2,3)19-9-11-21-12-10-19/h4,20H,1,5-15H2,2-3H3
InChIKeyKTTXKDXIDHFOKV-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.75
Rot. Bonds6

About [1-(2-methyl-2-morpholin-4-ylpropyl)-3-prop-2-enylpiperidin-3-yl]methanol

[1-(2-methyl-2-morpholin-4-ylpropyl)-3-prop-2-enylpiperidin-3-yl]methanol (PubChem CID 72878383) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is [1-(2-methyl-2-morpholin-4-ylpropyl)-3-prop-2-enylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-methyl-2-morpholin-4-ylpropyl)-3-prop-2-enylpiperidin-3-yl]methanol
PubChem CID72878383
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name[1-(2-methyl-2-morpholin-4-ylpropyl)-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CCC1(CO)CCCN(CC(C)(C)N2CCOCC2)C1
InChIInChI=1S/C17H32N2O2/c1-4-6-17(15-20)7-5-8-18(14-17)13-16(2,3)19-9-11-21-12-10-19/h4,20H,1,5-15H2,2-3H3
InChIKeyKTTXKDXIDHFOKV-UHFFFAOYSA-N
XLogP1.75
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.75
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 [1-(2-methyl-2-morpholin-4-ylpropyl)-3-prop-2-enylpiperidin-3-yl]methanol?
The IUPAC name of [1-(2-methyl-2-morpholin-4-ylpropyl)-3-prop-2-enylpiperidin-3-yl]methanol (CID 72878383) is [1-(2-methyl-2-morpholin-4-ylpropyl)-3-prop-2-enylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-methyl-2-morpholin-4-ylpropyl)-3-prop-2-enylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(2-methyl-2-morpholin-4-ylpropyl)-3-prop-2-enylpiperidin-3-yl]methanol is C=CCC1(CO)CCCN(CC(C)(C)N2CCOCC2)C1.
What is the InChIKey of [1-(2-methyl-2-morpholin-4-ylpropyl)-3-prop-2-enylpiperidin-3-yl]methanol?
The InChIKey is KTTXKDXIDHFOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-6-17(15-20)7-5-8-18(14-17)13-16(2,3)19-9-11-21-12-10-19/h4,20H,1,5-15H2,2-3H3.
What are the key properties of [1-(2-methyl-2-morpholin-4-ylpropyl)-3-prop-2-enylpiperidin-3-yl]methanol?
[1-(2-methyl-2-morpholin-4-ylpropyl)-3-prop-2-enylpiperidin-3-yl]methanol has a molecular weight of 296.46 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-2-morpholin-4-ylpropyl)-3-prop-2-enylpiperidin-3-yl]methanol is sourced from PubChem (CID 72878383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).