3-methoxypiperidine-1-carbonyl chloride

C7H12ClNO2 — CID 102969135

IUPAC3-methoxypiperidine-1-carbonyl chloride
SMILESCOC1CCCN(C(=O)Cl)C1
InChIInChI=1S/C7H12ClNO2/c1-11-6-3-2-4-9(5-6)7(8)10/h6H,2-5H2,1H3
InChIKeyLTBYFXBHQOKWHC-UHFFFAOYSA-N
MW177.63 g/mol
LogP1.46
Rot. Bonds1

About 3-methoxypiperidine-1-carbonyl chloride

3-methoxypiperidine-1-carbonyl chloride (PubChem CID 102969135) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is 3-methoxypiperidine-1-carbonyl chloride.

Molecular Properties

Compound Name3-methoxypiperidine-1-carbonyl chloride
PubChem CID102969135
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name3-methoxypiperidine-1-carbonyl chloride
SMILESCOC1CCCN(C(=O)Cl)C1
InChIInChI=1S/C7H12ClNO2/c1-11-6-3-2-4-9(5-6)7(8)10/h6H,2-5H2,1H3
InChIKeyLTBYFXBHQOKWHC-UHFFFAOYSA-N
XLogP1.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one
CID 129410228
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
2-(3-methoxypiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120975154
1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone
CID 103809291
4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid
CID 129412716
3-methoxypiperidine-1-carbothioamide
CID 102963097
2-bromo-1-(3-methoxypiperidin-1-yl)butan-1-one
CID 102956877
1-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744619
(3-methoxypiperidin-1-yl)-pyrrolidin-3-ylmethanone
CID 103809318
4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one
CID 102957567
4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 102963044
(2-chloro-4,5-difluorophenyl)-(3-methoxypiperidin-1-yl)methanone
CID 91830057

Frequently Asked Questions

What is the IUPAC name of 3-methoxypiperidine-1-carbonyl chloride?
The IUPAC name of 3-methoxypiperidine-1-carbonyl chloride (CID 102969135) is 3-methoxypiperidine-1-carbonyl chloride.
What is the SMILES notation for 3-methoxypiperidine-1-carbonyl chloride?
The canonical SMILES for 3-methoxypiperidine-1-carbonyl chloride is COC1CCCN(C(=O)Cl)C1.
What is the InChIKey of 3-methoxypiperidine-1-carbonyl chloride?
The InChIKey is LTBYFXBHQOKWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO2/c1-11-6-3-2-4-9(5-6)7(8)10/h6H,2-5H2,1H3.
What are the key properties of 3-methoxypiperidine-1-carbonyl chloride?
3-methoxypiperidine-1-carbonyl chloride has a molecular weight of 177.63 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypiperidine-1-carbonyl chloride is sourced from PubChem (CID 102969135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).