[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate

C15H21NO3 — CID 174365627

IUPAC[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate
SMILESCOc1ccc(CCN2CCC(OC=O)CC2)cc1
InChIInChI=1S/C15H21NO3/c1-18-14-4-2-13(3-5-14)6-9-16-10-7-15(8-11-16)19-12-17/h2-5,12,15H,6-11H2,1H3
InChIKeyGVARZLHUZGZDLI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.88
Rot. Bonds6

About [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate

[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate (PubChem CID 174365627) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate.

Molecular Properties

Compound Name[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate
PubChem CID174365627
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate
SMILESCOc1ccc(CCN2CCC(OC=O)CC2)cc1
InChIInChI=1S/C15H21NO3/c1-18-14-4-2-13(3-5-14)6-9-16-10-7-15(8-11-16)19-12-17/h2-5,12,15H,6-11H2,1H3
InChIKeyGVARZLHUZGZDLI-UHFFFAOYSA-N
XLogP1.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 65445936
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine
CID 123350321
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 171910981
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920973
(3S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933968
(4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol
CID 54146924
1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine
CID 120775320
N-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 24732325
N-[(4-fluorophenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 26407576
1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine
CID 175628874
3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968462

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate?
The IUPAC name of [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate (CID 174365627) is [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate.
What is the SMILES notation for [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate?
The canonical SMILES for [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate is COc1ccc(CCN2CCC(OC=O)CC2)cc1.
What is the InChIKey of [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate?
The InChIKey is GVARZLHUZGZDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-14-4-2-13(3-5-14)6-9-16-10-7-15(8-11-16)19-12-17/h2-5,12,15H,6-11H2,1H3.
What are the key properties of [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate?
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate has a molecular weight of 263.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate is sourced from PubChem (CID 174365627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).