ethyl 3-(4-benzhydrylidenepiperidin-1-yl)propanoate;hydrochloride

C23H28ClNO2 — CID 10200133

IUPACethyl 3-(4-benzhydrylidenepiperidin-1-yl)propanoate;hydrochloride
SMILESCCOC(=O)CCN1CCC(=C(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C23H27NO2.ClH/c1-2-26-22(25)15-18-24-16-13-21(14-17-24)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12H,2,13-18H2,1H3;1H
InChIKeyFTRBCZWBTQEOPF-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.96
Rot. Bonds6

About ethyl 3-(4-benzhydrylidenepiperidin-1-yl)propanoate;hydrochloride

ethyl 3-(4-benzhydrylidenepiperidin-1-yl)propanoate;hydrochloride (PubChem CID 10200133) has the molecular formula C23H28ClNO2 and a molecular weight of 385.94 g/mol. Its IUPAC name is ethyl 3-(4-benzhydrylidenepiperidin-1-yl)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-(4-benzhydrylidenepiperidin-1-yl)propanoate;hydrochloride
PubChem CID10200133
Molecular FormulaC23H28ClNO2
Molecular Weight385.94 g/mol
Exact Mass385.18
IUPAC Nameethyl 3-(4-benzhydrylidenepiperidin-1-yl)propanoate;hydrochloride
SMILESCCOC(=O)CCN1CCC(=C(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C23H27NO2.ClH/c1-2-26-22(25)15-18-24-16-13-21(14-17-24)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12H,2,13-18H2,1H3;1H
InChIKeyFTRBCZWBTQEOPF-UHFFFAOYSA-N
XLogP4.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-(3-phenyl-2-propen-1-yl)-4-piperidinecarboxylate
CID 782814
Ethyl 1-(2-phenylethyl)-3-piperidinecarboxylate
CID 2845965
Ethyl 1-(3-phenyl-2-propen-1-yl)-3-piperidinecarboxylate
CID 5721691
N-(3-Methoxy-3-oxopropyl)-N-(2-phenylethyl)-beta-alanine methyl ester
CID 12405801
1-Phenethyl-4-propionyloxypiperidine
CID 91725431
Ethyl 1-(3-phenylbutyl)-3-piperidinecarboxylate
CID 2845640
Ethyl 1-(3-phenylpropyl)-3-piperidinecarboxylate hydrochloride
CID 6603291
3-phenylpropyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
CID 14182251
3-phenylpropyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate;hydrochloride
CID 14182339
Acetic acid 1-(4-phenyl-piperidin-1-ylmethyl)-propyl ester
CID 15925889
methyl 2-[(2R,6S)-2,6-bis(2-phenylethyl)piperidin-1-yl]acetate
CID 76314848
1-Methylpiperidin-4-yl diphenylacetate--hydrogen chloride (1/1)
CID 2947724

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-benzhydrylidenepiperidin-1-yl)propanoate;hydrochloride?
The IUPAC name of ethyl 3-(4-benzhydrylidenepiperidin-1-yl)propanoate;hydrochloride (CID 10200133) is ethyl 3-(4-benzhydrylidenepiperidin-1-yl)propanoate;hydrochloride.
What is the SMILES notation for ethyl 3-(4-benzhydrylidenepiperidin-1-yl)propanoate;hydrochloride?
The canonical SMILES for ethyl 3-(4-benzhydrylidenepiperidin-1-yl)propanoate;hydrochloride is CCOC(=O)CCN1CCC(=C(c2ccccc2)c2ccccc2)CC1.Cl.
What is the InChIKey of ethyl 3-(4-benzhydrylidenepiperidin-1-yl)propanoate;hydrochloride?
The InChIKey is FTRBCZWBTQEOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2.ClH/c1-2-26-22(25)15-18-24-16-13-21(14-17-24)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12H,2,13-18H2,1H3;1H.
What are the key properties of ethyl 3-(4-benzhydrylidenepiperidin-1-yl)propanoate;hydrochloride?
ethyl 3-(4-benzhydrylidenepiperidin-1-yl)propanoate;hydrochloride has a molecular weight of 385.94 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-benzhydrylidenepiperidin-1-yl)propanoate;hydrochloride is sourced from PubChem (CID 10200133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).