4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one

C12H23NO3 — CID 106741495

IUPAC4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one
SMILESCC(O)CCC(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C12H23NO3/c1-9(14)3-4-12(16)13-7-5-11(6-8-13)10(2)15/h9-11,14-15H,3-8H2,1-2H3
InChIKeyNEGFVJZLGWLZKQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.77
Rot. Bonds4

About 4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one

4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one (PubChem CID 106741495) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one
PubChem CID106741495
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one
SMILESCC(O)CCC(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C12H23NO3/c1-9(14)3-4-12(16)13-7-5-11(6-8-13)10(2)15/h9-11,14-15H,3-8H2,1-2H3
InChIKeyNEGFVJZLGWLZKQ-UHFFFAOYSA-N
XLogP0.77
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-4-ethyl-1-[4-(1-hydroxyethyl)piperidin-1-yl]hexan-1-one
CID 106835869
4-hydroxy-1-pyrrolidin-1-ylpentan-1-one
CID 54374776
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 113264108
1-(4-hydroxypentanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 79200487
2-chloro-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 103881627
4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one
CID 82693542
5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
CID 112629395
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 103810252
4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 103540685
bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 175316755
1-(4,4-diethylpiperidin-1-yl)-4-hydroxypentan-1-one
CID 79192492
5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
CID 103503955

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one (CID 106741495) is 4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one is CC(O)CCC(=O)N1CCC(C(C)O)CC1.
What is the InChIKey of 4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one?
The InChIKey is NEGFVJZLGWLZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(14)3-4-12(16)13-7-5-11(6-8-13)10(2)15/h9-11,14-15H,3-8H2,1-2H3.
What are the key properties of 4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one?
4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one has a molecular weight of 229.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 106741495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).