2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid

C10H19NO3 — CID 62395408

IUPAC2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid
SMILESCC(C)N1CCC(O)(CC(=O)O)CC1
InChIInChI=1S/C10H19NO3/c1-8(2)11-5-3-10(14,4-6-11)7-9(12)13/h8,14H,3-7H2,1-2H3,(H,12,13)
InChIKeyFSKJCGXSOGSHCZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.70
Rot. Bonds3

About 2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid

2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid (PubChem CID 62395408) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid
PubChem CID62395408
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid
SMILESCC(C)N1CCC(O)(CC(=O)O)CC1
InChIInChI=1S/C10H19NO3/c1-8(2)11-5-3-10(14,4-6-11)7-9(12)13/h8,14H,3-7H2,1-2H3,(H,12,13)
InChIKeyFSKJCGXSOGSHCZ-UHFFFAOYSA-N
XLogP0.70
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)acetic acid
CID 105468786
3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 82713423
(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl hypoiodite
CID 155039158
2-[4-(methylamino)-1-propan-2-ylazepan-4-yl]acetic acid
CID 65236826
1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone
CID 177010579
1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol
CID 79567229
4-(methylaminomethyl)-1-propan-2-ylpiperidin-4-ol
CID 39237893
2-[3-(dimethylamino)-1-propan-2-ylpyrrolidin-3-yl]acetic acid
CID 64528744
N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 146107032
1-[4-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]ethanone
CID 177354667
2-[3-(azepan-1-yl)-1-propan-2-ylpyrrolidin-3-yl]acetic acid
CID 64527717
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid (CID 62395408) is 2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid is CC(C)N1CCC(O)(CC(=O)O)CC1.
What is the InChIKey of 2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid?
The InChIKey is FSKJCGXSOGSHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(2)11-5-3-10(14,4-6-11)7-9(12)13/h8,14H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid?
2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid has a molecular weight of 201.27 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid is sourced from PubChem (CID 62395408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).