1,2-bis(1-hydroxy-2-methylpropan-2-yl)piperidin-4-ol

C13H27NO3 — CID 175036978

IUPAC1,2-bis(1-hydroxy-2-methylpropan-2-yl)piperidin-4-ol
SMILESCC(C)(CO)C1CC(O)CCN1C(C)(C)CO
InChIInChI=1S/C13H27NO3/c1-12(2,8-15)11-7-10(17)5-6-14(11)13(3,4)9-16/h10-11,15-17H,5-9H2,1-4H3
InChIKeyXPJFAXQRCRUJDZ-UHFFFAOYSA-N
MW245.36 g/mol
LogP0.60
Rot. Bonds4

About 1,2-bis(1-hydroxy-2-methylpropan-2-yl)piperidin-4-ol

1,2-bis(1-hydroxy-2-methylpropan-2-yl)piperidin-4-ol (PubChem CID 175036978) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 1,2-bis(1-hydroxy-2-methylpropan-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name1,2-bis(1-hydroxy-2-methylpropan-2-yl)piperidin-4-ol
PubChem CID175036978
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name1,2-bis(1-hydroxy-2-methylpropan-2-yl)piperidin-4-ol
SMILESCC(C)(CO)C1CC(O)CCN1C(C)(C)CO
InChIInChI=1S/C13H27NO3/c1-12(2,8-15)11-7-10(17)5-6-14(11)13(3,4)9-16/h10-11,15-17H,5-9H2,1-4H3
InChIKeyXPJFAXQRCRUJDZ-UHFFFAOYSA-N
XLogP0.60
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(1-hydroxy-2-methylpropan-2-yl)piperidin-4-ol?
The IUPAC name of 1,2-bis(1-hydroxy-2-methylpropan-2-yl)piperidin-4-ol (CID 175036978) is 1,2-bis(1-hydroxy-2-methylpropan-2-yl)piperidin-4-ol.
What is the SMILES notation for 1,2-bis(1-hydroxy-2-methylpropan-2-yl)piperidin-4-ol?
The canonical SMILES for 1,2-bis(1-hydroxy-2-methylpropan-2-yl)piperidin-4-ol is CC(C)(CO)C1CC(O)CCN1C(C)(C)CO.
What is the InChIKey of 1,2-bis(1-hydroxy-2-methylpropan-2-yl)piperidin-4-ol?
The InChIKey is XPJFAXQRCRUJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-12(2,8-15)11-7-10(17)5-6-14(11)13(3,4)9-16/h10-11,15-17H,5-9H2,1-4H3.
What are the key properties of 1,2-bis(1-hydroxy-2-methylpropan-2-yl)piperidin-4-ol?
1,2-bis(1-hydroxy-2-methylpropan-2-yl)piperidin-4-ol has a molecular weight of 245.36 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(1-hydroxy-2-methylpropan-2-yl)piperidin-4-ol is sourced from PubChem (CID 175036978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).