1-tert-butyl-4-methoxypiperidine-4-carboxylic acid

C11H21NO3 — CID 105468787

IUPAC1-tert-butyl-4-methoxypiperidine-4-carboxylic acid
SMILESCOC1(C(=O)O)CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H21NO3/c1-10(2,3)12-7-5-11(15-4,6-8-12)9(13)14/h5-8H2,1-4H3,(H,13,14)
InChIKeySSBYMOQWNKKVOX-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds2

About 1-tert-butyl-4-methoxypiperidine-4-carboxylic acid

1-tert-butyl-4-methoxypiperidine-4-carboxylic acid (PubChem CID 105468787) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-tert-butyl-4-methoxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-4-methoxypiperidine-4-carboxylic acid
PubChem CID105468787
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-tert-butyl-4-methoxypiperidine-4-carboxylic acid
SMILESCOC1(C(=O)O)CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H21NO3/c1-10(2,3)12-7-5-11(15-4,6-8-12)9(13)14/h5-8H2,1-4H3,(H,13,14)
InChIKeySSBYMOQWNKKVOX-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butylpiperidine-4,4-dicarboxylic acid
CID 117007985
1-methoxy-4,4-dimethylcyclohexane-1-carboxylic acid
CID 83225553
4-methoxy-1-phenylpiperidine-4-carboxylic acid
CID 106821204
1-tert-butyl-4-(fluoromethyl)piperidine-4-carboxylic acid
CID 115030206
4-methoxy-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 155893247
1-[1-tert-butyl-4-(methoxymethyl)piperidin-4-yl]ethanone
CID 118309199
1-(1,1-dioxothian-4-yl)-4-methoxypiperidine-4-carboxylic acid
CID 114284650
1-(3-ethylsulfonylpropyl)-4-methoxypiperidine-4-carboxylic acid
CID 114284634
tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate
CID 134506707
3-methoxythietane-3-carboxylic acid
CID 105429212
(4-amino-1-tert-butylpiperidin-4-yl)methanol
CID 3742222
1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
CID 176737009

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methoxypiperidine-4-carboxylic acid?
The IUPAC name of 1-tert-butyl-4-methoxypiperidine-4-carboxylic acid (CID 105468787) is 1-tert-butyl-4-methoxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-4-methoxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-tert-butyl-4-methoxypiperidine-4-carboxylic acid is COC1(C(=O)O)CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methoxypiperidine-4-carboxylic acid?
The InChIKey is SSBYMOQWNKKVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,3)12-7-5-11(15-4,6-8-12)9(13)14/h5-8H2,1-4H3,(H,13,14).
What are the key properties of 1-tert-butyl-4-methoxypiperidine-4-carboxylic acid?
1-tert-butyl-4-methoxypiperidine-4-carboxylic acid has a molecular weight of 215.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methoxypiperidine-4-carboxylic acid is sourced from PubChem (CID 105468787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).