(1-methylpiperidin-4-yl) carbonochloridate

C7H12ClNO2 — CID 14762750

IUPAC(1-methylpiperidin-4-yl) carbonochloridate
SMILESCN1CCC(OC(=O)Cl)CC1
InChIInChI=1S/C7H12ClNO2/c1-9-4-2-6(3-5-9)11-7(8)10/h6H,2-5H2,1H3
InChIKeyFKTCBHHHFUUZDI-UHFFFAOYSA-N
MW177.63 g/mol
LogP1.46
Rot. Bonds1

About (1-methylpiperidin-4-yl) carbonochloridate

(1-methylpiperidin-4-yl) carbonochloridate (PubChem CID 14762750) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) carbonochloridate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) carbonochloridate
PubChem CID14762750
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name(1-methylpiperidin-4-yl) carbonochloridate
SMILESCN1CCC(OC(=O)Cl)CC1
InChIInChI=1S/C7H12ClNO2/c1-9-4-2-6(3-5-9)11-7(8)10/h6H,2-5H2,1H3
InChIKeyFKTCBHHHFUUZDI-UHFFFAOYSA-N
XLogP1.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
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 ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) carbonochloridate?
The IUPAC name of (1-methylpiperidin-4-yl) carbonochloridate (CID 14762750) is (1-methylpiperidin-4-yl) carbonochloridate.
What is the SMILES notation for (1-methylpiperidin-4-yl) carbonochloridate?
The canonical SMILES for (1-methylpiperidin-4-yl) carbonochloridate is CN1CCC(OC(=O)Cl)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) carbonochloridate?
The InChIKey is FKTCBHHHFUUZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO2/c1-9-4-2-6(3-5-9)11-7(8)10/h6H,2-5H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl) carbonochloridate?
(1-methylpiperidin-4-yl) carbonochloridate has a molecular weight of 177.63 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) carbonochloridate is sourced from PubChem (CID 14762750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).