4-propan-2-ylpiperidin-4-ol

C8H17NO — CID 57416290

IUPAC4-propan-2-ylpiperidin-4-ol
SMILESCC(C)C1(O)CCNCC1
InChIInChI=1S/C8H17NO/c1-7(2)8(10)3-5-9-6-4-8/h7,9-10H,3-6H2,1-2H3
InChIKeyAREAPMVZFHKETO-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.76
Rot. Bonds1

About 4-propan-2-ylpiperidin-4-ol

4-propan-2-ylpiperidin-4-ol (PubChem CID 57416290) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-propan-2-ylpiperidin-4-ol
PubChem CID57416290
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-propan-2-ylpiperidin-4-ol
SMILESCC(C)C1(O)CCNCC1
InChIInChI=1S/C8H17NO/c1-7(2)8(10)3-5-9-6-4-8/h7,9-10H,3-6H2,1-2H3
InChIKeyAREAPMVZFHKETO-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylpiperidin-4-ol?
The IUPAC name of 4-propan-2-ylpiperidin-4-ol (CID 57416290) is 4-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 4-propan-2-ylpiperidin-4-ol is CC(C)C1(O)CCNCC1.
What is the InChIKey of 4-propan-2-ylpiperidin-4-ol?
The InChIKey is AREAPMVZFHKETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)8(10)3-5-9-6-4-8/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-ylpiperidin-4-ol?
4-propan-2-ylpiperidin-4-ol has a molecular weight of 143.23 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 57416290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).