ethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate;hydrochloride

C18H26ClNO2 — CID 3076324

IUPACethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1(c2ccc(C3CC3)cc2)CCN(C)CC1.Cl
InChIInChI=1S/C18H25NO2.ClH/c1-3-21-17(20)18(10-12-19(2)13-11-18)16-8-6-15(7-9-16)14-4-5-14;/h6-9,14H,3-5,10-13H2,1-2H3;1H
InChIKeyJJSSFMCWFLPJRG-UHFFFAOYSA-N
MW323.86 g/mol
LogP3.51
Rot. Bonds4

About ethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate;hydrochloride

ethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate;hydrochloride (PubChem CID 3076324) has the molecular formula C18H26ClNO2 and a molecular weight of 323.86 g/mol. Its IUPAC name is ethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate;hydrochloride
PubChem CID3076324
Molecular FormulaC18H26ClNO2
Molecular Weight323.86 g/mol
Exact Mass323.17
IUPAC Nameethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1(c2ccc(C3CC3)cc2)CCN(C)CC1.Cl
InChIInChI=1S/C18H25NO2.ClH/c1-3-21-17(20)18(10-12-19(2)13-11-18)16-8-6-15(7-9-16)14-4-5-14;/h6-9,14H,3-5,10-13H2,1-2H3;1H
InChIKeyJJSSFMCWFLPJRG-UHFFFAOYSA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride
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ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate
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1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117463978
ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 15029975
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride
CID 70621572
ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride
CID 23619800
ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate
CID 142504179

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate;hydrochloride (CID 3076324) is ethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate;hydrochloride is CCOC(=O)C1(c2ccc(C3CC3)cc2)CCN(C)CC1.Cl.
What is the InChIKey of ethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate;hydrochloride?
The InChIKey is JJSSFMCWFLPJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2.ClH/c1-3-21-17(20)18(10-12-19(2)13-11-18)16-8-6-15(7-9-16)14-4-5-14;/h6-9,14H,3-5,10-13H2,1-2H3;1H.
What are the key properties of ethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate;hydrochloride?
ethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate;hydrochloride has a molecular weight of 323.86 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 3076324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).