2-[4-(cyclobutylmethyl)piperidin-4-yl]ethyl formate

C13H23NO2 — CID 174624567

IUPAC2-[4-(cyclobutylmethyl)piperidin-4-yl]ethyl formate
SMILESO=COCCC1(CC2CCC2)CCNCC1
InChIInChI=1S/C13H23NO2/c15-11-16-9-6-13(4-7-14-8-5-13)10-12-2-1-3-12/h11-12,14H,1-10H2
InChIKeyQBJUVEISJDWBEQ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.11
Rot. Bonds6

About 2-[4-(cyclobutylmethyl)piperidin-4-yl]ethyl formate

2-[4-(cyclobutylmethyl)piperidin-4-yl]ethyl formate (PubChem CID 174624567) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[4-(cyclobutylmethyl)piperidin-4-yl]ethyl formate.

Molecular Properties

Compound Name2-[4-(cyclobutylmethyl)piperidin-4-yl]ethyl formate
PubChem CID174624567
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[4-(cyclobutylmethyl)piperidin-4-yl]ethyl formate
SMILESO=COCCC1(CC2CCC2)CCNCC1
InChIInChI=1S/C13H23NO2/c15-11-16-9-6-13(4-7-14-8-5-13)10-12-2-1-3-12/h11-12,14H,1-10H2
InChIKeyQBJUVEISJDWBEQ-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutylmethyl)piperidin-4-yl]ethyl formate?
The IUPAC name of 2-[4-(cyclobutylmethyl)piperidin-4-yl]ethyl formate (CID 174624567) is 2-[4-(cyclobutylmethyl)piperidin-4-yl]ethyl formate.
What is the SMILES notation for 2-[4-(cyclobutylmethyl)piperidin-4-yl]ethyl formate?
The canonical SMILES for 2-[4-(cyclobutylmethyl)piperidin-4-yl]ethyl formate is O=COCCC1(CC2CCC2)CCNCC1.
What is the InChIKey of 2-[4-(cyclobutylmethyl)piperidin-4-yl]ethyl formate?
The InChIKey is QBJUVEISJDWBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-11-16-9-6-13(4-7-14-8-5-13)10-12-2-1-3-12/h11-12,14H,1-10H2.
What are the key properties of 2-[4-(cyclobutylmethyl)piperidin-4-yl]ethyl formate?
2-[4-(cyclobutylmethyl)piperidin-4-yl]ethyl formate has a molecular weight of 225.33 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutylmethyl)piperidin-4-yl]ethyl formate is sourced from PubChem (CID 174624567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).