ethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride

C16H24ClNO3 — CID 56829802

IUPACethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(OCCC2CCCCN2)cc1.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-2-19-16(18)13-6-8-15(9-7-13)20-12-10-14-5-3-4-11-17-14;/h6-9,14,17H,2-5,10-12H2,1H3;1H
InChIKeyLNMSBLBRMBIIGI-UHFFFAOYSA-N
MW313.83 g/mol
LogP3.20
Rot. Bonds6

About ethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride

ethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride (PubChem CID 56829802) has the molecular formula C16H24ClNO3 and a molecular weight of 313.83 g/mol. Its IUPAC name is ethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride
PubChem CID56829802
Molecular FormulaC16H24ClNO3
Molecular Weight313.83 g/mol
Exact Mass313.14
IUPAC Nameethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(OCCC2CCCCN2)cc1.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-2-19-16(18)13-6-8-15(9-7-13)20-12-10-14-5-3-4-11-17-14;/h6-9,14,17H,2-5,10-12H2,1H3;1H
InChIKeyLNMSBLBRMBIIGI-UHFFFAOYSA-N
XLogP3.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoate
CID 86321634
4-(2-piperidin-2-ylethoxy)benzamide
CID 43150005
1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone
CID 86320597
4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid
CID 94751423
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
(4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride
CID 70091402
2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride
CID 73013054
2-methyl-4-(2-piperidin-2-ylethoxy)benzamide
CID 81276506
ethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
CID 86320486
4-methoxy-N-(4-methoxyphenyl)-N-[4-(2-piperidin-2-ylethoxy)phenyl]benzamide
CID 69172491
2-[(2S)-piperidin-2-yl]ethyl pyridine-4-carboxylate
CID 86319343
ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-[4-(2-piperidin-2-ylethoxy)phenyl]propanoate
CID 70062115

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride?
The IUPAC name of ethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride (CID 56829802) is ethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride.
What is the SMILES notation for ethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride?
The canonical SMILES for ethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride is CCOC(=O)c1ccc(OCCC2CCCCN2)cc1.Cl.
What is the InChIKey of ethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride?
The InChIKey is LNMSBLBRMBIIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3.ClH/c1-2-19-16(18)13-6-8-15(9-7-13)20-12-10-14-5-3-4-11-17-14;/h6-9,14,17H,2-5,10-12H2,1H3;1H.
What are the key properties of ethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride?
ethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride is sourced from PubChem (CID 56829802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).