1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one

C16H32N2O2 — CID 161257651

IUPAC1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CCC(O)CC1.CC(C)N1CCCCC1=O
InChIInChI=1S/C8H17NO.C8H15NO/c1-7(2)9-5-3-8(10)4-6-9;1-7(2)9-6-4-3-5-8(9)10/h7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyVCDFUTLQHQNHFC-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.26
Rot. Bonds2

About 1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one

1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one (PubChem CID 161257651) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one
PubChem CID161257651
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CCC(O)CC1.CC(C)N1CCCCC1=O
InChIInChI=1S/C8H17NO.C8H15NO/c1-7(2)9-5-3-8(10)4-6-9;1-7(2)9-6-4-3-5-8(9)10/h7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyVCDFUTLQHQNHFC-UHFFFAOYSA-N
XLogP2.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one?
The IUPAC name of 1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one (CID 161257651) is 1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one?
The canonical SMILES for 1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one is CC(C)N1CCC(O)CC1.CC(C)N1CCCCC1=O.
What is the InChIKey of 1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one?
The InChIKey is VCDFUTLQHQNHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C8H15NO/c1-7(2)9-5-3-8(10)4-6-9;1-7(2)9-6-4-3-5-8(9)10/h7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one?
1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one has a molecular weight of 284.44 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 161257651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).