1-[(2R)-1-hydroxybutan-2-yl]piperidin-4-one

C9H17NO2 — CID 130654701

IUPAC1-[(2R)-1-hydroxybutan-2-yl]piperidin-4-one
SMILESCC[C@H](CO)N1CCC(=O)CC1
InChIInChI=1S/C9H17NO2/c1-2-8(7-11)10-5-3-9(12)4-6-10/h8,11H,2-7H2,1H3/t8-/m1/s1
InChIKeyCPFSOEKCCPKCGT-MRVPVSSYSA-N
MW171.24 g/mol
LogP0.42
Rot. Bonds3

About 1-[(2R)-1-hydroxybutan-2-yl]piperidin-4-one

1-[(2R)-1-hydroxybutan-2-yl]piperidin-4-one (PubChem CID 130654701) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxybutan-2-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[(2R)-1-hydroxybutan-2-yl]piperidin-4-one
PubChem CID130654701
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-[(2R)-1-hydroxybutan-2-yl]piperidin-4-one
SMILESCC[C@H](CO)N1CCC(=O)CC1
InChIInChI=1S/C9H17NO2/c1-2-8(7-11)10-5-3-9(12)4-6-10/h8,11H,2-7H2,1H3/t8-/m1/s1
InChIKeyCPFSOEKCCPKCGT-MRVPVSSYSA-N
XLogP0.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxybutan-2-yl]piperidin-4-one?
The IUPAC name of 1-[(2R)-1-hydroxybutan-2-yl]piperidin-4-one (CID 130654701) is 1-[(2R)-1-hydroxybutan-2-yl]piperidin-4-one.
What is the SMILES notation for 1-[(2R)-1-hydroxybutan-2-yl]piperidin-4-one?
The canonical SMILES for 1-[(2R)-1-hydroxybutan-2-yl]piperidin-4-one is CC[C@H](CO)N1CCC(=O)CC1.
What is the InChIKey of 1-[(2R)-1-hydroxybutan-2-yl]piperidin-4-one?
The InChIKey is CPFSOEKCCPKCGT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-8(7-11)10-5-3-9(12)4-6-10/h8,11H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxybutan-2-yl]piperidin-4-one?
1-[(2R)-1-hydroxybutan-2-yl]piperidin-4-one has a molecular weight of 171.24 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxybutan-2-yl]piperidin-4-one is sourced from PubChem (CID 130654701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).