2-(4-hydroxy-1,3,5-trimethylpiperidin-4-yl)acetic acid

C10H19NO3 — CID 83908396

IUPAC2-(4-hydroxy-1,3,5-trimethylpiperidin-4-yl)acetic acid
SMILESCC1CN(C)CC(C)C1(O)CC(=O)O
InChIInChI=1S/C10H19NO3/c1-7-5-11(3)6-8(2)10(7,14)4-9(12)13/h7-8,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyLZYYFFMEXOHRCD-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.41
Rot. Bonds2

About 2-(4-hydroxy-1,3,5-trimethylpiperidin-4-yl)acetic acid

2-(4-hydroxy-1,3,5-trimethylpiperidin-4-yl)acetic acid (PubChem CID 83908396) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(4-hydroxy-1,3,5-trimethylpiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-1,3,5-trimethylpiperidin-4-yl)acetic acid
PubChem CID83908396
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-(4-hydroxy-1,3,5-trimethylpiperidin-4-yl)acetic acid
SMILESCC1CN(C)CC(C)C1(O)CC(=O)O
InChIInChI=1S/C10H19NO3/c1-7-5-11(3)6-8(2)10(7,14)4-9(12)13/h7-8,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyLZYYFFMEXOHRCD-UHFFFAOYSA-N
XLogP0.41
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxy-3,5-dimethylthian-4-yl)acetic acid
CID 83908672
1-[(3S,5S)-4-hydroxy-1,3,5-trimethylpiperidin-4-yl]ethanone
CID 763057
2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid
CID 83906993
2-[(1R)-1-amino-2-methylcyclopropyl]acetic acid
CID 171036084
1,3,4,4,5-pentamethylpiperidine
CID 18740724
1,2-dimethylaziridine;propanoic acid
CID 175486579
(3S,5S)-1,3,5-trimethyl-4-phenylpiperidine-4-carboxylic acid
CID 86339150
2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid
CID 80503158
1-[(3S,4R)-1,3,4-trimethylpyrrolidin-3-yl]ethanone
CID 130186895
2-[3-methyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid
CID 65421643
2-[1-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid
CID 117365326
1,3,5-trimethyl-4-phenylpiperidin-4-ol;hydrochloride
CID 126467809

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1,3,5-trimethylpiperidin-4-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-1,3,5-trimethylpiperidin-4-yl)acetic acid (CID 83908396) is 2-(4-hydroxy-1,3,5-trimethylpiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-1,3,5-trimethylpiperidin-4-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-1,3,5-trimethylpiperidin-4-yl)acetic acid is CC1CN(C)CC(C)C1(O)CC(=O)O.
What is the InChIKey of 2-(4-hydroxy-1,3,5-trimethylpiperidin-4-yl)acetic acid?
The InChIKey is LZYYFFMEXOHRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7-5-11(3)6-8(2)10(7,14)4-9(12)13/h7-8,14H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-(4-hydroxy-1,3,5-trimethylpiperidin-4-yl)acetic acid?
2-(4-hydroxy-1,3,5-trimethylpiperidin-4-yl)acetic acid has a molecular weight of 201.27 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1,3,5-trimethylpiperidin-4-yl)acetic acid is sourced from PubChem (CID 83908396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).