[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone

C20H34N2O3 — CID 72876696

IUPAC[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone
SMILESC=CCC1(CO)CCCN(C(=O)C2(N3CCOCC3)CCCCC2)C1
InChIInChI=1S/C20H34N2O3/c1-2-7-19(17-23)8-6-11-21(16-19)18(24)20(9-4-3-5-10-20)22-12-14-25-15-13-22/h2,23H,1,3-17H2
InChIKeyWPFJDMCTXCZZFL-UHFFFAOYSA-N
MW350.50 g/mol
LogP2.20
Rot. Bonds5

About [3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone

[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone (PubChem CID 72876696) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is [3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone
PubChem CID72876696
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Name[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone
SMILESC=CCC1(CO)CCCN(C(=O)C2(N3CCOCC3)CCCCC2)C1
InChIInChI=1S/C20H34N2O3/c1-2-7-19(17-23)8-6-11-21(16-19)18(24)20(9-4-3-5-10-20)22-12-14-25-15-13-22/h2,23H,1,3-17H2
InChIKeyWPFJDMCTXCZZFL-UHFFFAOYSA-N
XLogP2.20
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 52.20
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-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone?
The IUPAC name of [3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone (CID 72876696) is [3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone?
The canonical SMILES for [3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone is C=CCC1(CO)CCCN(C(=O)C2(N3CCOCC3)CCCCC2)C1.
What is the InChIKey of [3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone?
The InChIKey is WPFJDMCTXCZZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-2-7-19(17-23)8-6-11-21(16-19)18(24)20(9-4-3-5-10-20)22-12-14-25-15-13-22/h2,23H,1,3-17H2.
What are the key properties of [3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone?
[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone has a molecular weight of 350.50 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone is sourced from PubChem (CID 72876696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).