ethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride

C23H30ClNO3 — CID 70366449

IUPACethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride
SMILESCCOC(=O)C(C)N1CCC(OC(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C23H29NO3.ClH/c1-3-26-23(25)18(2)24-16-14-21(15-17-24)27-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;/h4-13,18,21-22H,3,14-17H2,1-2H3;1H
InChIKeyJZUXJHQKTLLWKR-UHFFFAOYSA-N
MW403.95 g/mol
LogP4.63
Rot. Bonds7

About ethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride

ethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride (PubChem CID 70366449) has the molecular formula C23H30ClNO3 and a molecular weight of 403.95 g/mol. Its IUPAC name is ethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride
PubChem CID70366449
Molecular FormulaC23H30ClNO3
Molecular Weight403.95 g/mol
Exact Mass403.19
IUPAC Nameethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride
SMILESCCOC(=O)C(C)N1CCC(OC(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C23H29NO3.ClH/c1-3-26-23(25)18(2)24-16-14-21(15-17-24)27-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;/h4-13,18,21-22H,3,14-17H2,1-2H3;1H
InChIKeyJZUXJHQKTLLWKR-UHFFFAOYSA-N
XLogP4.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzhydryloxy-1-propan-2-ylpiperidine
CID 59898734
ethyl 4-(4-benzhydryloxypiperidin-1-yl)-3-oxobutanoate
CID 150642644
ethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate
CID 10385289
propyl 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate
CID 111461861
ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
CID 62070395
ethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate
CID 66835932
ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
CID 106677310
ethyl 6-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]hexanoate
CID 19874399
4-[(4-ethylphenyl)-phenylmethoxy]piperidine-1-carboxylic acid
CID 67830997
ethyl 4-[4-[phenyl-(4-propylphenyl)methoxy]piperidin-1-yl]butanoate
CID 139601780
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid
CID 158283333
ethyl 4-[(4-benzhydryloxypiperidin-1-yl)methyl]-2H-pyrrole-5-carboxylate
CID 161206861

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride?
The IUPAC name of ethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride (CID 70366449) is ethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride.
What is the SMILES notation for ethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride?
The canonical SMILES for ethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride is CCOC(=O)C(C)N1CCC(OC(c2ccccc2)c2ccccc2)CC1.Cl.
What is the InChIKey of ethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride?
The InChIKey is JZUXJHQKTLLWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3.ClH/c1-3-26-23(25)18(2)24-16-14-21(15-17-24)27-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;/h4-13,18,21-22H,3,14-17H2,1-2H3;1H.
What are the key properties of ethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride?
ethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride has a molecular weight of 403.95 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride is sourced from PubChem (CID 70366449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).