1-(3-hydroxybutan-2-yl)-3-methylpiperidin-3-ol

C10H21NO2 — CID 115874049

IUPAC1-(3-hydroxybutan-2-yl)-3-methylpiperidin-3-ol
SMILESCC(O)C(C)N1CCCC(C)(O)C1
InChIInChI=1S/C10H21NO2/c1-8(9(2)12)11-6-4-5-10(3,13)7-11/h8-9,12-13H,4-7H2,1-3H3
InChIKeyUYZCPHUSFCQRSS-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.60
Rot. Bonds2

About 1-(3-hydroxybutan-2-yl)-3-methylpiperidin-3-ol

1-(3-hydroxybutan-2-yl)-3-methylpiperidin-3-ol (PubChem CID 115874049) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(3-hydroxybutan-2-yl)-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(3-hydroxybutan-2-yl)-3-methylpiperidin-3-ol
PubChem CID115874049
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(3-hydroxybutan-2-yl)-3-methylpiperidin-3-ol
SMILESCC(O)C(C)N1CCCC(C)(O)C1
InChIInChI=1S/C10H21NO2/c1-8(9(2)12)11-6-4-5-10(3,13)7-11/h8-9,12-13H,4-7H2,1-3H3
InChIKeyUYZCPHUSFCQRSS-UHFFFAOYSA-N
XLogP0.60
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutan-2-yl)-3-methylpiperidin-3-ol?
The IUPAC name of 1-(3-hydroxybutan-2-yl)-3-methylpiperidin-3-ol (CID 115874049) is 1-(3-hydroxybutan-2-yl)-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-(3-hydroxybutan-2-yl)-3-methylpiperidin-3-ol?
The canonical SMILES for 1-(3-hydroxybutan-2-yl)-3-methylpiperidin-3-ol is CC(O)C(C)N1CCCC(C)(O)C1.
What is the InChIKey of 1-(3-hydroxybutan-2-yl)-3-methylpiperidin-3-ol?
The InChIKey is UYZCPHUSFCQRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(9(2)12)11-6-4-5-10(3,13)7-11/h8-9,12-13H,4-7H2,1-3H3.
What are the key properties of 1-(3-hydroxybutan-2-yl)-3-methylpiperidin-3-ol?
1-(3-hydroxybutan-2-yl)-3-methylpiperidin-3-ol has a molecular weight of 187.28 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutan-2-yl)-3-methylpiperidin-3-ol is sourced from PubChem (CID 115874049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).