ethyl 3-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propanoate

C23H28ClNO3 — CID 10069658

IUPACethyl 3-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCC(OC(c2ccccc2)c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H28ClNO3/c1-2-27-22(26)13-16-25-14-11-21(12-15-25)28-23(18-7-4-3-5-8-18)19-9-6-10-20(24)17-19/h3-10,17,21,23H,2,11-16H2,1H3
InChIKeyQJCCZVKGYMTHMH-UHFFFAOYSA-N
MW401.93 g/mol
LogP4.86
Rot. Bonds8

About ethyl 3-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propanoate

ethyl 3-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propanoate (PubChem CID 10069658) has the molecular formula C23H28ClNO3 and a molecular weight of 401.93 g/mol. Its IUPAC name is ethyl 3-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propanoate
PubChem CID10069658
Molecular FormulaC23H28ClNO3
Molecular Weight401.93 g/mol
Exact Mass401.18
IUPAC Nameethyl 3-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCC(OC(c2ccccc2)c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H28ClNO3/c1-2-27-22(26)13-16-25-14-11-21(12-15-25)28-23(18-7-4-3-5-8-18)19-9-6-10-20(24)17-19/h3-10,17,21,23H,2,11-16H2,1H3
InChIKeyQJCCZVKGYMTHMH-UHFFFAOYSA-N
XLogP4.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.93
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]butanoate
CID 54498618
ethyl 6-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]hexanoate
CID 19874399
ethyl 4-[4-[phenyl-(4-propylphenyl)methoxy]piperidin-1-yl]butanoate
CID 139601780
ethyl 4-(4-benzhydryloxypiperidin-1-yl)-3-oxobutanoate
CID 150642644
ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane
CID 158654311
ethyl 3-(3-chlorophenyl)-3-cyclopentyloxypropanoate
CID 148697514
3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid
CID 10316907
3-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]-N-(2-hydroxy-5-methylphenyl)propanamide
CID 10480227
methyl 6-[4-[phenyl-(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]hexanoate
CID 139601779
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid
CID 158283333
7-[4-[(4-ethylphenyl)-phenylmethoxy]piperidin-1-yl]heptanoic acid
CID 139601792
ethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride
CID 70366449

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propanoate?
The IUPAC name of ethyl 3-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propanoate (CID 10069658) is ethyl 3-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propanoate?
The canonical SMILES for ethyl 3-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propanoate is CCOC(=O)CCN1CCC(OC(c2ccccc2)c2cccc(Cl)c2)CC1.
What is the InChIKey of ethyl 3-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propanoate?
The InChIKey is QJCCZVKGYMTHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClNO3/c1-2-27-22(26)13-16-25-14-11-21(12-15-25)28-23(18-7-4-3-5-8-18)19-9-6-10-20(24)17-19/h3-10,17,21,23H,2,11-16H2,1H3.
What are the key properties of ethyl 3-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propanoate?
ethyl 3-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propanoate has a molecular weight of 401.93 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propanoate is sourced from PubChem (CID 10069658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).