[4-(piperidin-1-ylmethyl)cyclohexyl] formate

C13H23NO2 — CID 143316782

IUPAC[4-(piperidin-1-ylmethyl)cyclohexyl] formate
SMILESO=COC1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C13H23NO2/c15-11-16-13-6-4-12(5-7-13)10-14-8-2-1-3-9-14/h11-13H,1-10H2
InChIKeyFDASNDHOOOVKSN-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.20
Rot. Bonds4

About [4-(piperidin-1-ylmethyl)cyclohexyl] formate

[4-(piperidin-1-ylmethyl)cyclohexyl] formate (PubChem CID 143316782) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is [4-(piperidin-1-ylmethyl)cyclohexyl] formate.

Molecular Properties

Compound Name[4-(piperidin-1-ylmethyl)cyclohexyl] formate
PubChem CID143316782
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name[4-(piperidin-1-ylmethyl)cyclohexyl] formate
SMILESO=COC1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C13H23NO2/c15-11-16-13-6-4-12(5-7-13)10-14-8-2-1-3-9-14/h11-13H,1-10H2
InChIKeyFDASNDHOOOVKSN-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
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-(piperidin-1-ylmethyl)cyclohexyl] formate?
The IUPAC name of [4-(piperidin-1-ylmethyl)cyclohexyl] formate (CID 143316782) is [4-(piperidin-1-ylmethyl)cyclohexyl] formate.
What is the SMILES notation for [4-(piperidin-1-ylmethyl)cyclohexyl] formate?
The canonical SMILES for [4-(piperidin-1-ylmethyl)cyclohexyl] formate is O=COC1CCC(CN2CCCCC2)CC1.
What is the InChIKey of [4-(piperidin-1-ylmethyl)cyclohexyl] formate?
The InChIKey is FDASNDHOOOVKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-11-16-13-6-4-12(5-7-13)10-14-8-2-1-3-9-14/h11-13H,1-10H2.
What are the key properties of [4-(piperidin-1-ylmethyl)cyclohexyl] formate?
[4-(piperidin-1-ylmethyl)cyclohexyl] formate has a molecular weight of 225.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(piperidin-1-ylmethyl)cyclohexyl] formate is sourced from PubChem (CID 143316782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).