1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid

C11H21NO4 — CID 154475897

IUPAC1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14/h8,10,15H,4-7H2,1-3H3,(H,13,14)
InChIKeyQSFSJMQNNJTNBC-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.87
Rot. Bonds3

About 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid

1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid (PubChem CID 154475897) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid
PubChem CID154475897
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14/h8,10,15H,4-7H2,1-3H3,(H,13,14)
InChIKeyQSFSJMQNNJTNBC-UHFFFAOYSA-N
XLogP0.87
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxamide
CID 123191389
1-[hydroxy(2,5,5-trimethylhexan-2-yloxy)methyl]piperidine-4-carboxylic acid
CID 123659569
1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-N-methoxy-N-methylpiperidine-4-carboxamide
CID 123219754
(R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 142812058
1-butan-2-ylpiperidine-4-carboxylic acid
CID 43441619
(4-bromo-2-fluorophenyl)-[1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-yl]methanone
CID 176849358
1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one
CID 177198291
(3-aminopiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
CID 77442311
1-(1-cyclopentylethyl)piperidine-4-carboxylic acid
CID 65056131
[(3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-yl]methyl methanesulfonate
CID 139524998
tert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate
CID 64687530
1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 178154076

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid (CID 154475897) is 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid is CC(C)(C)OC(O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid?
The InChIKey is QSFSJMQNNJTNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14/h8,10,15H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid?
1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 154475897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).