(1-methylpiperidin-4-yl)methoxycarbonyloxymethyl formate

C10H17NO5 — CID 87296343

IUPAC(1-methylpiperidin-4-yl)methoxycarbonyloxymethyl formate
SMILESCN1CCC(COC(=O)OCOC=O)CC1
InChIInChI=1S/C10H17NO5/c1-11-4-2-9(3-5-11)6-15-10(13)16-8-14-7-12/h7,9H,2-6,8H2,1H3
InChIKeyMQEQLKRPRFSVIF-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.61
Rot. Bonds5

About (1-methylpiperidin-4-yl)methoxycarbonyloxymethyl formate

(1-methylpiperidin-4-yl)methoxycarbonyloxymethyl formate (PubChem CID 87296343) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)methoxycarbonyloxymethyl formate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)methoxycarbonyloxymethyl formate
PubChem CID87296343
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(1-methylpiperidin-4-yl)methoxycarbonyloxymethyl formate
SMILESCN1CCC(COC(=O)OCOC=O)CC1
InChIInChI=1S/C10H17NO5/c1-11-4-2-9(3-5-11)6-15-10(13)16-8-14-7-12/h7,9H,2-6,8H2,1H3
InChIKeyMQEQLKRPRFSVIF-UHFFFAOYSA-N
XLogP0.61
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)methoxycarbonyloxymethyl formate?
The IUPAC name of (1-methylpiperidin-4-yl)methoxycarbonyloxymethyl formate (CID 87296343) is (1-methylpiperidin-4-yl)methoxycarbonyloxymethyl formate.
What is the SMILES notation for (1-methylpiperidin-4-yl)methoxycarbonyloxymethyl formate?
The canonical SMILES for (1-methylpiperidin-4-yl)methoxycarbonyloxymethyl formate is CN1CCC(COC(=O)OCOC=O)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)methoxycarbonyloxymethyl formate?
The InChIKey is MQEQLKRPRFSVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-11-4-2-9(3-5-11)6-15-10(13)16-8-14-7-12/h7,9H,2-6,8H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl)methoxycarbonyloxymethyl formate?
(1-methylpiperidin-4-yl)methoxycarbonyloxymethyl formate has a molecular weight of 231.25 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)methoxycarbonyloxymethyl formate is sourced from PubChem (CID 87296343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).