(3-chlorophenyl)methyl 4-ethylpiperidine-2-carboxylate

C15H20ClNO2 — CID 114430091

IUPAC(3-chlorophenyl)methyl 4-ethylpiperidine-2-carboxylate
SMILESCCC1CCNC(C(=O)OCc2cccc(Cl)c2)C1
InChIInChI=1S/C15H20ClNO2/c1-2-11-6-7-17-14(9-11)15(18)19-10-12-4-3-5-13(16)8-12/h3-5,8,11,14,17H,2,6-7,9-10H2,1H3
InChIKeyOVMIWOFQRRWYMD-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.16
Rot. Bonds4

About (3-chlorophenyl)methyl 4-ethylpiperidine-2-carboxylate

(3-chlorophenyl)methyl 4-ethylpiperidine-2-carboxylate (PubChem CID 114430091) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 4-ethylpiperidine-2-carboxylate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 4-ethylpiperidine-2-carboxylate
PubChem CID114430091
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(3-chlorophenyl)methyl 4-ethylpiperidine-2-carboxylate
SMILESCCC1CCNC(C(=O)OCc2cccc(Cl)c2)C1
InChIInChI=1S/C15H20ClNO2/c1-2-11-6-7-17-14(9-11)15(18)19-10-12-4-3-5-13(16)8-12/h3-5,8,11,14,17H,2,6-7,9-10H2,1H3
InChIKeyOVMIWOFQRRWYMD-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 4-ethylpiperidine-2-carboxylate?
The IUPAC name of (3-chlorophenyl)methyl 4-ethylpiperidine-2-carboxylate (CID 114430091) is (3-chlorophenyl)methyl 4-ethylpiperidine-2-carboxylate.
What is the SMILES notation for (3-chlorophenyl)methyl 4-ethylpiperidine-2-carboxylate?
The canonical SMILES for (3-chlorophenyl)methyl 4-ethylpiperidine-2-carboxylate is CCC1CCNC(C(=O)OCc2cccc(Cl)c2)C1.
What is the InChIKey of (3-chlorophenyl)methyl 4-ethylpiperidine-2-carboxylate?
The InChIKey is OVMIWOFQRRWYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-11-6-7-17-14(9-11)15(18)19-10-12-4-3-5-13(16)8-12/h3-5,8,11,14,17H,2,6-7,9-10H2,1H3.
What are the key properties of (3-chlorophenyl)methyl 4-ethylpiperidine-2-carboxylate?
(3-chlorophenyl)methyl 4-ethylpiperidine-2-carboxylate has a molecular weight of 281.78 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 4-ethylpiperidine-2-carboxylate is sourced from PubChem (CID 114430091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).