4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylic acid;hydrochloride

C11H21ClN2O4 — CID 140565769

IUPAC4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylic acid;hydrochloride
SMILESCOC1CN(C(=O)O)CCC1COC1CNC1.Cl
InChIInChI=1S/C11H20N2O4.ClH/c1-16-10-6-13(11(14)15)3-2-8(10)7-17-9-4-12-5-9;/h8-10,12H,2-7H2,1H3,(H,14,15);1H
InChIKeyLLEYWOQLKVRJPU-UHFFFAOYSA-N
MW280.75 g/mol
LogP0.41
Rot. Bonds4

About 4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylic acid;hydrochloride

4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylic acid;hydrochloride (PubChem CID 140565769) has the molecular formula C11H21ClN2O4 and a molecular weight of 280.75 g/mol. Its IUPAC name is 4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylic acid;hydrochloride
PubChem CID140565769
Molecular FormulaC11H21ClN2O4
Molecular Weight280.75 g/mol
Exact Mass280.12
IUPAC Name4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylic acid;hydrochloride
SMILESCOC1CN(C(=O)O)CCC1COC1CNC1.Cl
InChIInChI=1S/C11H20N2O4.ClH/c1-16-10-6-13(11(14)15)3-2-8(10)7-17-9-4-12-5-9;/h8-10,12H,2-7H2,1H3,(H,14,15);1H
InChIKeyLLEYWOQLKVRJPU-UHFFFAOYSA-N
XLogP0.41
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylcyclopropyl) (3R,4S)-4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylate
CID 67332553
(3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid
CID 20745982
4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid
CID 141023299
4-amino-3-(cyclopropylmethoxy)piperidine-1-carboxylic acid
CID 66677317
2-(azetidin-3-yloxy)-1-(3-ethylpyrrolidin-1-yl)ethanone
CID 119821173
(3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid
CID 70462326
2-(azetidin-3-yloxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 63107383
2-(azetidin-3-yloxy)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119791807
(3R,4S)-4-(dibenzylamino)-3-methoxypiperidine-1-carboxylic acid
CID 70048023
4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid
CID 118326496
3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 90457958
tert-butyl (4S)-3-methoxy-4-[(4-methylphenyl)sulfonyloxymethyl]piperidine-1-carboxylate
CID 89063589

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylic acid;hydrochloride?
The IUPAC name of 4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylic acid;hydrochloride (CID 140565769) is 4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylic acid;hydrochloride is COC1CN(C(=O)O)CCC1COC1CNC1.Cl.
What is the InChIKey of 4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylic acid;hydrochloride?
The InChIKey is LLEYWOQLKVRJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4.ClH/c1-16-10-6-13(11(14)15)3-2-8(10)7-17-9-4-12-5-9;/h8-10,12H,2-7H2,1H3,(H,14,15);1H.
What are the key properties of 4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylic acid;hydrochloride?
4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylic acid;hydrochloride has a molecular weight of 280.75 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 140565769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).