1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]butan-2-ol

C14H29NO2 — CID 162851712

IUPAC1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]butan-2-ol
SMILESCCC(O)CC1CCCC(CC(O)CC)N1C
InChIInChI=1S/C14H29NO2/c1-4-13(16)9-11-7-6-8-12(15(11)3)10-14(17)5-2/h11-14,16-17H,4-10H2,1-3H3
InChIKeyDVRAXSJEOJUVCR-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.16
Rot. Bonds6

About 1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]butan-2-ol

1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]butan-2-ol (PubChem CID 162851712) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]butan-2-ol.

Molecular Properties

Compound Name1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]butan-2-ol
PubChem CID162851712
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]butan-2-ol
SMILESCCC(O)CC1CCCC(CC(O)CC)N1C
InChIInChI=1S/C14H29NO2/c1-4-13(16)9-11-7-6-8-12(15(11)3)10-14(17)5-2/h11-14,16-17H,4-10H2,1-3H3
InChIKeyDVRAXSJEOJUVCR-UHFFFAOYSA-N
XLogP2.16
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]butan-2-ol?
The IUPAC name of 1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]butan-2-ol (CID 162851712) is 1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]butan-2-ol.
What is the SMILES notation for 1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]butan-2-ol?
The canonical SMILES for 1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]butan-2-ol is CCC(O)CC1CCCC(CC(O)CC)N1C.
What is the InChIKey of 1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]butan-2-ol?
The InChIKey is DVRAXSJEOJUVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-13(16)9-11-7-6-8-12(15(11)3)10-14(17)5-2/h11-14,16-17H,4-10H2,1-3H3.
What are the key properties of 1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]butan-2-ol?
1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]butan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]butan-2-ol is sourced from PubChem (CID 162851712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).