4-morpholin-4-ylpiperidine-1-carbonyl chloride

C10H17ClN2O2 — CID 15700344

IUPAC4-morpholin-4-ylpiperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C10H17ClN2O2/c11-10(14)13-3-1-9(2-4-13)12-5-7-15-8-6-12/h9H,1-8H2
InChIKeyOZXRKYCBEXRSIZ-UHFFFAOYSA-N
MW232.71 g/mol
LogP1.14
Rot. Bonds1

About 4-morpholin-4-ylpiperidine-1-carbonyl chloride

4-morpholin-4-ylpiperidine-1-carbonyl chloride (PubChem CID 15700344) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 4-morpholin-4-ylpiperidine-1-carbonyl chloride.

Molecular Properties

Compound Name4-morpholin-4-ylpiperidine-1-carbonyl chloride
PubChem CID15700344
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name4-morpholin-4-ylpiperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C10H17ClN2O2/c11-10(14)13-3-1-9(2-4-13)12-5-7-15-8-6-12/h9H,1-8H2
InChIKeyOZXRKYCBEXRSIZ-UHFFFAOYSA-N
XLogP1.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl chloride;hydrochloride
CID 168873592
(2R)-2-amino-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
CID 129371509
4-(1-cyclopentylpiperidin-4-yl)morpholine;oxalic acid
CID 17369368
2-(dimethylamino)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone;methane
CID 168941007
(sulfonylamino) 4-morpholin-4-ylpiperidine-1-carboxylate
CID 175338266
N-[(E)-1-(4-morpholin-4-ylpiperidin-1-yl)prop-1-enyl]acetamide
CID 142187269
4-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 23062598
2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 64593046
2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 64592238
(4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 158649732
morpholine-4-carbonyl chloride;morpholine-4-carboxamide
CID 160802379
4-cyclopropylmorpholine;ethane
CID 155594914

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylpiperidine-1-carbonyl chloride?
The IUPAC name of 4-morpholin-4-ylpiperidine-1-carbonyl chloride (CID 15700344) is 4-morpholin-4-ylpiperidine-1-carbonyl chloride.
What is the SMILES notation for 4-morpholin-4-ylpiperidine-1-carbonyl chloride?
The canonical SMILES for 4-morpholin-4-ylpiperidine-1-carbonyl chloride is O=C(Cl)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-morpholin-4-ylpiperidine-1-carbonyl chloride?
The InChIKey is OZXRKYCBEXRSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c11-10(14)13-3-1-9(2-4-13)12-5-7-15-8-6-12/h9H,1-8H2.
What are the key properties of 4-morpholin-4-ylpiperidine-1-carbonyl chloride?
4-morpholin-4-ylpiperidine-1-carbonyl chloride has a molecular weight of 232.71 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylpiperidine-1-carbonyl chloride is sourced from PubChem (CID 15700344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).