(4-methylpiperidin-4-yl) formate

C7H13NO2 — CID 174473461

IUPAC(4-methylpiperidin-4-yl) formate
SMILESCC1(OC=O)CCNCC1
InChIInChI=1S/C7H13NO2/c1-7(10-6-9)2-4-8-5-3-7/h6,8H,2-5H2,1H3
InChIKeyNIPPUPDUHLJMSD-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.30
Rot. Bonds2

About (4-methylpiperidin-4-yl) formate

(4-methylpiperidin-4-yl) formate (PubChem CID 174473461) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (4-methylpiperidin-4-yl) formate.

Molecular Properties

Compound Name(4-methylpiperidin-4-yl) formate
PubChem CID174473461
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(4-methylpiperidin-4-yl) formate
SMILESCC1(OC=O)CCNCC1
InChIInChI=1S/C7H13NO2/c1-7(10-6-9)2-4-8-5-3-7/h6,8H,2-5H2,1H3
InChIKeyNIPPUPDUHLJMSD-UHFFFAOYSA-N
XLogP0.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-4-yl) formate?
The IUPAC name of (4-methylpiperidin-4-yl) formate (CID 174473461) is (4-methylpiperidin-4-yl) formate.
What is the SMILES notation for (4-methylpiperidin-4-yl) formate?
The canonical SMILES for (4-methylpiperidin-4-yl) formate is CC1(OC=O)CCNCC1.
What is the InChIKey of (4-methylpiperidin-4-yl) formate?
The InChIKey is NIPPUPDUHLJMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(10-6-9)2-4-8-5-3-7/h6,8H,2-5H2,1H3.
What are the key properties of (4-methylpiperidin-4-yl) formate?
(4-methylpiperidin-4-yl) formate has a molecular weight of 143.19 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-4-yl) formate is sourced from PubChem (CID 174473461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).