[3-(3-methylbut-2-enyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol

C20H32N4O2 — CID 70775264

IUPAC[3-(3-methylbut-2-enyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol
SMILESCC(C)=CCC1(CO)CCCN(Cc2cnc(N3CCOCC3)nc2)C1
InChIInChI=1S/C20H32N4O2/c1-17(2)4-6-20(16-25)5-3-7-23(15-20)14-18-12-21-19(22-13-18)24-8-10-26-11-9-24/h4,12-13,25H,3,5-11,14-16H2,1-2H3
InChIKeyBOFNIIDCCNXDPO-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.24
Rot. Bonds6

About [3-(3-methylbut-2-enyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol

[3-(3-methylbut-2-enyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol (PubChem CID 70775264) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is [3-(3-methylbut-2-enyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(3-methylbut-2-enyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol
PubChem CID70775264
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name[3-(3-methylbut-2-enyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol
SMILESCC(C)=CCC1(CO)CCCN(Cc2cnc(N3CCOCC3)nc2)C1
InChIInChI=1S/C20H32N4O2/c1-17(2)4-6-20(16-25)5-3-7-23(15-20)14-18-12-21-19(22-13-18)24-8-10-26-11-9-24/h4,12-13,25H,3,5-11,14-16H2,1-2H3
InChIKeyBOFNIIDCCNXDPO-UHFFFAOYSA-N
XLogP2.24
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-(3-methylbut-2-enyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol (CID 70775264) is [3-(3-methylbut-2-enyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-(3-methylbut-2-enyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-(3-methylbut-2-enyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol is CC(C)=CCC1(CO)CCCN(Cc2cnc(N3CCOCC3)nc2)C1.
What is the InChIKey of [3-(3-methylbut-2-enyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is BOFNIIDCCNXDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-17(2)4-6-20(16-25)5-3-7-23(15-20)14-18-12-21-19(22-13-18)24-8-10-26-11-9-24/h4,12-13,25H,3,5-11,14-16H2,1-2H3.
What are the key properties of [3-(3-methylbut-2-enyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol?
[3-(3-methylbut-2-enyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 360.50 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbut-2-enyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 70775264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).