[1-(2-ethylbutyl)-4-methylpiperidin-4-yl]methanol

C13H27NO — CID 104695290

IUPAC[1-(2-ethylbutyl)-4-methylpiperidin-4-yl]methanol
SMILESCCC(CC)CN1CCC(C)(CO)CC1
InChIInChI=1S/C13H27NO/c1-4-12(5-2)10-14-8-6-13(3,11-15)7-9-14/h12,15H,4-11H2,1-3H3
InChIKeyAPTZJOKPPQMSNB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.52
Rot. Bonds5

About [1-(2-ethylbutyl)-4-methylpiperidin-4-yl]methanol

[1-(2-ethylbutyl)-4-methylpiperidin-4-yl]methanol (PubChem CID 104695290) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is [1-(2-ethylbutyl)-4-methylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-ethylbutyl)-4-methylpiperidin-4-yl]methanol
PubChem CID104695290
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name[1-(2-ethylbutyl)-4-methylpiperidin-4-yl]methanol
SMILESCCC(CC)CN1CCC(C)(CO)CC1
InChIInChI=1S/C13H27NO/c1-4-12(5-2)10-14-8-6-13(3,11-15)7-9-14/h12,15H,4-11H2,1-3H3
InChIKeyAPTZJOKPPQMSNB-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylbutyl)-4-methylpiperidin-4-yl]methanol?
The IUPAC name of [1-(2-ethylbutyl)-4-methylpiperidin-4-yl]methanol (CID 104695290) is [1-(2-ethylbutyl)-4-methylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(2-ethylbutyl)-4-methylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(2-ethylbutyl)-4-methylpiperidin-4-yl]methanol is CCC(CC)CN1CCC(C)(CO)CC1.
What is the InChIKey of [1-(2-ethylbutyl)-4-methylpiperidin-4-yl]methanol?
The InChIKey is APTZJOKPPQMSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-12(5-2)10-14-8-6-13(3,11-15)7-9-14/h12,15H,4-11H2,1-3H3.
What are the key properties of [1-(2-ethylbutyl)-4-methylpiperidin-4-yl]methanol?
[1-(2-ethylbutyl)-4-methylpiperidin-4-yl]methanol has a molecular weight of 213.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylbutyl)-4-methylpiperidin-4-yl]methanol is sourced from PubChem (CID 104695290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).