[1-[4-[2-(hydroxymethyl)-2-methylpiperidin-1-yl]but-2-enyl]-2-methylpiperidin-2-yl]methanol

C18H34N2O2 — CID 126797391

IUPAC[1-[4-[2-(hydroxymethyl)-2-methylpiperidin-1-yl]but-2-enyl]-2-methylpiperidin-2-yl]methanol
SMILESCC1(CO)CCCCN1CC=CCN1CCCCC1(C)CO
InChIInChI=1S/C18H34N2O2/c1-17(15-21)9-3-5-11-19(17)13-7-8-14-20-12-6-4-10-18(20,2)16-22/h7-8,21-22H,3-6,9-16H2,1-2H3
InChIKeyHRGQDTNSUTYICD-UHFFFAOYSA-N
MW310.48 g/mol
LogP2.02
Rot. Bonds6

About [1-[4-[2-(hydroxymethyl)-2-methylpiperidin-1-yl]but-2-enyl]-2-methylpiperidin-2-yl]methanol

[1-[4-[2-(hydroxymethyl)-2-methylpiperidin-1-yl]but-2-enyl]-2-methylpiperidin-2-yl]methanol (PubChem CID 126797391) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is [1-[4-[2-(hydroxymethyl)-2-methylpiperidin-1-yl]but-2-enyl]-2-methylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-[2-(hydroxymethyl)-2-methylpiperidin-1-yl]but-2-enyl]-2-methylpiperidin-2-yl]methanol
PubChem CID126797391
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name[1-[4-[2-(hydroxymethyl)-2-methylpiperidin-1-yl]but-2-enyl]-2-methylpiperidin-2-yl]methanol
SMILESCC1(CO)CCCCN1CC=CCN1CCCCC1(C)CO
InChIInChI=1S/C18H34N2O2/c1-17(15-21)9-3-5-11-19(17)13-7-8-14-20-12-6-4-10-18(20,2)16-22/h7-8,21-22H,3-6,9-16H2,1-2H3
InChIKeyHRGQDTNSUTYICD-UHFFFAOYSA-N
XLogP2.02
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.02
H-Bond Donors ≤ 52
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-[4-[2-(hydroxymethyl)-2-methylpiperidin-1-yl]but-2-enyl]-2-methylpiperidin-2-yl]methanol?
The IUPAC name of [1-[4-[2-(hydroxymethyl)-2-methylpiperidin-1-yl]but-2-enyl]-2-methylpiperidin-2-yl]methanol (CID 126797391) is [1-[4-[2-(hydroxymethyl)-2-methylpiperidin-1-yl]but-2-enyl]-2-methylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-[4-[2-(hydroxymethyl)-2-methylpiperidin-1-yl]but-2-enyl]-2-methylpiperidin-2-yl]methanol?
The canonical SMILES for [1-[4-[2-(hydroxymethyl)-2-methylpiperidin-1-yl]but-2-enyl]-2-methylpiperidin-2-yl]methanol is CC1(CO)CCCCN1CC=CCN1CCCCC1(C)CO.
What is the InChIKey of [1-[4-[2-(hydroxymethyl)-2-methylpiperidin-1-yl]but-2-enyl]-2-methylpiperidin-2-yl]methanol?
The InChIKey is HRGQDTNSUTYICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-17(15-21)9-3-5-11-19(17)13-7-8-14-20-12-6-4-10-18(20,2)16-22/h7-8,21-22H,3-6,9-16H2,1-2H3.
What are the key properties of [1-[4-[2-(hydroxymethyl)-2-methylpiperidin-1-yl]but-2-enyl]-2-methylpiperidin-2-yl]methanol?
[1-[4-[2-(hydroxymethyl)-2-methylpiperidin-1-yl]but-2-enyl]-2-methylpiperidin-2-yl]methanol has a molecular weight of 310.48 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2-(hydroxymethyl)-2-methylpiperidin-1-yl]but-2-enyl]-2-methylpiperidin-2-yl]methanol is sourced from PubChem (CID 126797391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).