methyl 4-(3-ethoxyphenyl)piperidine-1-carboxylate

C15H21NO3 — CID 53316948

IUPACmethyl 4-(3-ethoxyphenyl)piperidine-1-carboxylate
SMILESCCOc1cccc(C2CCN(C(=O)OC)CC2)c1
InChIInChI=1S/C15H21NO3/c1-3-19-14-6-4-5-13(11-14)12-7-9-16(10-8-12)15(17)18-2/h4-6,11-12H,3,7-10H2,1-2H3
InChIKeySAIQCCDBUKPSTQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.03
Rot. Bonds3

About methyl 4-(3-ethoxyphenyl)piperidine-1-carboxylate

methyl 4-(3-ethoxyphenyl)piperidine-1-carboxylate (PubChem CID 53316948) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-(3-ethoxyphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-ethoxyphenyl)piperidine-1-carboxylate
PubChem CID53316948
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 4-(3-ethoxyphenyl)piperidine-1-carboxylate
SMILESCCOc1cccc(C2CCN(C(=O)OC)CC2)c1
InChIInChI=1S/C15H21NO3/c1-3-19-14-6-4-5-13(11-14)12-7-9-16(10-8-12)15(17)18-2/h4-6,11-12H,3,7-10H2,1-2H3
InChIKeySAIQCCDBUKPSTQ-UHFFFAOYSA-N
XLogP3.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-ethoxyphenyl)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(3-ethoxyphenyl)piperidine-1-carboxylate (CID 53316948) is methyl 4-(3-ethoxyphenyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(3-ethoxyphenyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(3-ethoxyphenyl)piperidine-1-carboxylate is CCOc1cccc(C2CCN(C(=O)OC)CC2)c1.
What is the InChIKey of methyl 4-(3-ethoxyphenyl)piperidine-1-carboxylate?
The InChIKey is SAIQCCDBUKPSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-19-14-6-4-5-13(11-14)12-7-9-16(10-8-12)15(17)18-2/h4-6,11-12H,3,7-10H2,1-2H3.
What are the key properties of methyl 4-(3-ethoxyphenyl)piperidine-1-carboxylate?
methyl 4-(3-ethoxyphenyl)piperidine-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-ethoxyphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 53316948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).