4-(2-hydroxy-2-methylpropyl)piperidin-4-ol

C9H19NO2 — CID 83816476

IUPAC4-(2-hydroxy-2-methylpropyl)piperidin-4-ol
SMILESCC(C)(O)CC1(O)CCNCC1
InChIInChI=1S/C9H19NO2/c1-8(2,11)7-9(12)3-5-10-6-4-9/h10-12H,3-7H2,1-2H3
InChIKeyGNUSMVHHMPHRCW-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.26
Rot. Bonds2

About 4-(2-hydroxy-2-methylpropyl)piperidin-4-ol

4-(2-hydroxy-2-methylpropyl)piperidin-4-ol (PubChem CID 83816476) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-(2-hydroxy-2-methylpropyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(2-hydroxy-2-methylpropyl)piperidin-4-ol
PubChem CID83816476
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-(2-hydroxy-2-methylpropyl)piperidin-4-ol
SMILESCC(C)(O)CC1(O)CCNCC1
InChIInChI=1S/C9H19NO2/c1-8(2,11)7-9(12)3-5-10-6-4-9/h10-12H,3-7H2,1-2H3
InChIKeyGNUSMVHHMPHRCW-UHFFFAOYSA-N
XLogP0.26
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-2-methylpropyl)piperidin-4-ol?
The IUPAC name of 4-(2-hydroxy-2-methylpropyl)piperidin-4-ol (CID 83816476) is 4-(2-hydroxy-2-methylpropyl)piperidin-4-ol.
What is the SMILES notation for 4-(2-hydroxy-2-methylpropyl)piperidin-4-ol?
The canonical SMILES for 4-(2-hydroxy-2-methylpropyl)piperidin-4-ol is CC(C)(O)CC1(O)CCNCC1.
What is the InChIKey of 4-(2-hydroxy-2-methylpropyl)piperidin-4-ol?
The InChIKey is GNUSMVHHMPHRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2,11)7-9(12)3-5-10-6-4-9/h10-12H,3-7H2,1-2H3.
What are the key properties of 4-(2-hydroxy-2-methylpropyl)piperidin-4-ol?
4-(2-hydroxy-2-methylpropyl)piperidin-4-ol has a molecular weight of 173.26 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-2-methylpropyl)piperidin-4-ol is sourced from PubChem (CID 83816476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).