methyl 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylate

C14H18FNO2 — CID 18933362

IUPACmethyl 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO2/c1-18-14(17)12-6-8-16(9-7-12)10-11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3
InChIKeyPJNHGEVWGQMWFZ-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.21
Rot. Bonds3

About methyl 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylate

methyl 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylate (PubChem CID 18933362) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is methyl 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylate
PubChem CID18933362
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Namemethyl 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO2/c1-18-14(17)12-6-8-16(9-7-12)10-11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3
InChIKeyPJNHGEVWGQMWFZ-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylate (CID 18933362) is methyl 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylate is COC(=O)C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of methyl 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylate?
The InChIKey is PJNHGEVWGQMWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-18-14(17)12-6-8-16(9-7-12)10-11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3.
What are the key properties of methyl 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylate?
methyl 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylate has a molecular weight of 251.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 18933362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).