(1-methylpiperidin-2-yl)methyl 1-(4-fluorophenyl)cyclohexane-1-carboxylate

C20H28FNO2 — CID 46213576

IUPAC(1-methylpiperidin-2-yl)methyl 1-(4-fluorophenyl)cyclohexane-1-carboxylate
SMILESCN1CCCCC1COC(=O)C1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C20H28FNO2/c1-22-14-6-3-7-18(22)15-24-19(23)20(12-4-2-5-13-20)16-8-10-17(21)11-9-16/h8-11,18H,2-7,12-15H2,1H3
InChIKeySLMXTXSYVWUVRS-UHFFFAOYSA-N
MW333.45 g/mol
LogP4.06
Rot. Bonds4

About (1-methylpiperidin-2-yl)methyl 1-(4-fluorophenyl)cyclohexane-1-carboxylate

(1-methylpiperidin-2-yl)methyl 1-(4-fluorophenyl)cyclohexane-1-carboxylate (PubChem CID 46213576) has the molecular formula C20H28FNO2 and a molecular weight of 333.45 g/mol. Its IUPAC name is (1-methylpiperidin-2-yl)methyl 1-(4-fluorophenyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-2-yl)methyl 1-(4-fluorophenyl)cyclohexane-1-carboxylate
PubChem CID46213576
Molecular FormulaC20H28FNO2
Molecular Weight333.45 g/mol
Exact Mass333.21
IUPAC Name(1-methylpiperidin-2-yl)methyl 1-(4-fluorophenyl)cyclohexane-1-carboxylate
SMILESCN1CCCCC1COC(=O)C1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C20H28FNO2/c1-22-14-6-3-7-18(22)15-24-19(23)20(12-4-2-5-13-20)16-8-10-17(21)11-9-16/h8-11,18H,2-7,12-15H2,1H3
InChIKeySLMXTXSYVWUVRS-UHFFFAOYSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Piperidolate
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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-2-yl)methyl 1-(4-fluorophenyl)cyclohexane-1-carboxylate?
The IUPAC name of (1-methylpiperidin-2-yl)methyl 1-(4-fluorophenyl)cyclohexane-1-carboxylate (CID 46213576) is (1-methylpiperidin-2-yl)methyl 1-(4-fluorophenyl)cyclohexane-1-carboxylate.
What is the SMILES notation for (1-methylpiperidin-2-yl)methyl 1-(4-fluorophenyl)cyclohexane-1-carboxylate?
The canonical SMILES for (1-methylpiperidin-2-yl)methyl 1-(4-fluorophenyl)cyclohexane-1-carboxylate is CN1CCCCC1COC(=O)C1(c2ccc(F)cc2)CCCCC1.
What is the InChIKey of (1-methylpiperidin-2-yl)methyl 1-(4-fluorophenyl)cyclohexane-1-carboxylate?
The InChIKey is SLMXTXSYVWUVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FNO2/c1-22-14-6-3-7-18(22)15-24-19(23)20(12-4-2-5-13-20)16-8-10-17(21)11-9-16/h8-11,18H,2-7,12-15H2,1H3.
What are the key properties of (1-methylpiperidin-2-yl)methyl 1-(4-fluorophenyl)cyclohexane-1-carboxylate?
(1-methylpiperidin-2-yl)methyl 1-(4-fluorophenyl)cyclohexane-1-carboxylate has a molecular weight of 333.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-2-yl)methyl 1-(4-fluorophenyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 46213576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).