3-(4-methylpiperidin-1-yl)propyl carbonochloridate

C10H18ClNO2 — CID 58496337

IUPAC3-(4-methylpiperidin-1-yl)propyl carbonochloridate
SMILESCC1CCN(CCCOC(=O)Cl)CC1
InChIInChI=1S/C10H18ClNO2/c1-9-3-6-12(7-4-9)5-2-8-14-10(11)13/h9H,2-8H2,1H3
InChIKeyUISIYCYXFFLWEQ-UHFFFAOYSA-N
MW219.71 g/mol
LogP2.48
Rot. Bonds4

About 3-(4-methylpiperidin-1-yl)propyl carbonochloridate

3-(4-methylpiperidin-1-yl)propyl carbonochloridate (PubChem CID 58496337) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)propyl carbonochloridate.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)propyl carbonochloridate
PubChem CID58496337
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name3-(4-methylpiperidin-1-yl)propyl carbonochloridate
SMILESCC1CCN(CCCOC(=O)Cl)CC1
InChIInChI=1S/C10H18ClNO2/c1-9-3-6-12(7-4-9)5-2-8-14-10(11)13/h9H,2-8H2,1H3
InChIKeyUISIYCYXFFLWEQ-UHFFFAOYSA-N
XLogP2.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)propyl carbonochloridate?
The IUPAC name of 3-(4-methylpiperidin-1-yl)propyl carbonochloridate (CID 58496337) is 3-(4-methylpiperidin-1-yl)propyl carbonochloridate.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)propyl carbonochloridate?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)propyl carbonochloridate is CC1CCN(CCCOC(=O)Cl)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)propyl carbonochloridate?
The InChIKey is UISIYCYXFFLWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-9-3-6-12(7-4-9)5-2-8-14-10(11)13/h9H,2-8H2,1H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)propyl carbonochloridate?
3-(4-methylpiperidin-1-yl)propyl carbonochloridate has a molecular weight of 219.71 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)propyl carbonochloridate is sourced from PubChem (CID 58496337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).