[3-(3-methylbut-2-enyl)-1-(oxan-4-ylmethyl)piperidin-3-yl]methanol

C17H31NO2 — CID 72922362

IUPAC[3-(3-methylbut-2-enyl)-1-(oxan-4-ylmethyl)piperidin-3-yl]methanol
SMILESCC(C)=CCC1(CO)CCCN(CC2CCOCC2)C1
InChIInChI=1S/C17H31NO2/c1-15(2)4-8-17(14-19)7-3-9-18(13-17)12-16-5-10-20-11-6-16/h4,16,19H,3,5-14H2,1-2H3
InChIKeyKCZAVUNIKCHBGW-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.84
Rot. Bonds5

About [3-(3-methylbut-2-enyl)-1-(oxan-4-ylmethyl)piperidin-3-yl]methanol

[3-(3-methylbut-2-enyl)-1-(oxan-4-ylmethyl)piperidin-3-yl]methanol (PubChem CID 72922362) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is [3-(3-methylbut-2-enyl)-1-(oxan-4-ylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(3-methylbut-2-enyl)-1-(oxan-4-ylmethyl)piperidin-3-yl]methanol
PubChem CID72922362
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name[3-(3-methylbut-2-enyl)-1-(oxan-4-ylmethyl)piperidin-3-yl]methanol
SMILESCC(C)=CCC1(CO)CCCN(CC2CCOCC2)C1
InChIInChI=1S/C17H31NO2/c1-15(2)4-8-17(14-19)7-3-9-18(13-17)12-16-5-10-20-11-6-16/h4,16,19H,3,5-14H2,1-2H3
InChIKeyKCZAVUNIKCHBGW-UHFFFAOYSA-N
XLogP2.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(oxan-4-ylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [3-(3-methylbut-2-enyl)-1-(oxan-4-ylmethyl)piperidin-3-yl]methanol (CID 72922362) is [3-(3-methylbut-2-enyl)-1-(oxan-4-ylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-(3-methylbut-2-enyl)-1-(oxan-4-ylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-(3-methylbut-2-enyl)-1-(oxan-4-ylmethyl)piperidin-3-yl]methanol is CC(C)=CCC1(CO)CCCN(CC2CCOCC2)C1.
What is the InChIKey of [3-(3-methylbut-2-enyl)-1-(oxan-4-ylmethyl)piperidin-3-yl]methanol?
The InChIKey is KCZAVUNIKCHBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-15(2)4-8-17(14-19)7-3-9-18(13-17)12-16-5-10-20-11-6-16/h4,16,19H,3,5-14H2,1-2H3.
What are the key properties of [3-(3-methylbut-2-enyl)-1-(oxan-4-ylmethyl)piperidin-3-yl]methanol?
[3-(3-methylbut-2-enyl)-1-(oxan-4-ylmethyl)piperidin-3-yl]methanol has a molecular weight of 281.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbut-2-enyl)-1-(oxan-4-ylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 72922362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).