4-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-1-methylpiperidin-4-ol

C14H28N2O2 — CID 4160664

IUPAC4-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(CCC2(O)CCN(C)CC2)CC1
InChIInChI=1S/C14H28N2O2/c1-15-9-5-13(17,6-10-15)3-4-14(18)7-11-16(2)12-8-14/h17-18H,3-12H2,1-2H3
InChIKeyLSXPUOJHVYQPGG-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.68
Rot. Bonds3

About 4-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-1-methylpiperidin-4-ol

4-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-1-methylpiperidin-4-ol (PubChem CID 4160664) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-1-methylpiperidin-4-ol
PubChem CID4160664
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(CCC2(O)CCN(C)CC2)CC1
InChIInChI=1S/C14H28N2O2/c1-15-9-5-13(17,6-10-15)3-4-14(18)7-11-16(2)12-8-14/h17-18H,3-12H2,1-2H3
InChIKeyLSXPUOJHVYQPGG-UHFFFAOYSA-N
XLogP0.68
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-1-methylpiperidin-4-ol (CID 4160664) is 4-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-1-methylpiperidin-4-ol is CN1CCC(O)(CCC2(O)CCN(C)CC2)CC1.
What is the InChIKey of 4-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-1-methylpiperidin-4-ol?
The InChIKey is LSXPUOJHVYQPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-15-9-5-13(17,6-10-15)3-4-14(18)7-11-16(2)12-8-14/h17-18H,3-12H2,1-2H3.
What are the key properties of 4-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-1-methylpiperidin-4-ol?
4-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-1-methylpiperidin-4-ol has a molecular weight of 256.39 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 4160664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).