ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate

C15H20ClNO2 — CID 2838484

IUPACethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClNO2/c1-2-19-15(18)13-4-3-9-17(11-13)10-12-5-7-14(16)8-6-12/h5-8,13H,2-4,9-11H2,1H3
InChIKeyIYEMTLQFPAALIQ-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.12
Rot. Bonds4

About ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate

ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate (PubChem CID 2838484) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate
PubChem CID2838484
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Nameethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClNO2/c1-2-19-15(18)13-4-3-9-17(11-13)10-12-5-7-14(16)8-6-12/h5-8,13H,2-4,9-11H2,1H3
InChIKeyIYEMTLQFPAALIQ-UHFFFAOYSA-N
XLogP3.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate
CID 764762
ethyl (3R)-1-[(3,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763085
ethyl 1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate
CID 2838402
ethyl (3R)-1-[(4-cyanophenyl)methyl]piperidine-3-carboxylate
CID 40800844
ethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate
CID 75385964
ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylate
CID 2846092
ethyl (3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidine-3-carboxylate
CID 81339175
ethyl (3R)-1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 41244131
3-[[(3S)-3-ethoxycarbonylpiperidin-1-yl]methyl]benzoic acid
CID 122028809
ethyl (3R)-1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 740099
ethyl (3R)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 106995037
ethyl 1-[[4-(2-cyanophenyl)phenyl]methyl]piperidine-3-carboxylate
CID 16618079

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate (CID 2838484) is ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate?
The InChIKey is IYEMTLQFPAALIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-19-15(18)13-4-3-9-17(11-13)10-12-5-7-14(16)8-6-12/h5-8,13H,2-4,9-11H2,1H3.
What are the key properties of ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate?
ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate has a molecular weight of 281.78 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 2838484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).