methyl 2-[4-[(4-chlorophenyl)methoxy]-3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]acetate

C22H26ClNO4 — CID 68844211

IUPACmethyl 2-[4-[(4-chlorophenyl)methoxy]-3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCc2ccc(Cl)cc2)c(CN2CCC(O)CC2)c1
InChIInChI=1S/C22H26ClNO4/c1-27-22(26)13-17-4-7-21(28-15-16-2-5-19(23)6-3-16)18(12-17)14-24-10-8-20(25)9-11-24/h2-7,12,20,25H,8-11,13-15H2,1H3
InChIKeyNNNMOYJDEMENIW-UHFFFAOYSA-N
MW403.91 g/mol
LogP3.59
Rot. Bonds7

About methyl 2-[4-[(4-chlorophenyl)methoxy]-3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]acetate

methyl 2-[4-[(4-chlorophenyl)methoxy]-3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]acetate (PubChem CID 68844211) has the molecular formula C22H26ClNO4 and a molecular weight of 403.91 g/mol. Its IUPAC name is methyl 2-[4-[(4-chlorophenyl)methoxy]-3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(4-chlorophenyl)methoxy]-3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]acetate
PubChem CID68844211
Molecular FormulaC22H26ClNO4
Molecular Weight403.91 g/mol
Exact Mass403.16
IUPAC Namemethyl 2-[4-[(4-chlorophenyl)methoxy]-3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCc2ccc(Cl)cc2)c(CN2CCC(O)CC2)c1
InChIInChI=1S/C22H26ClNO4/c1-27-22(26)13-17-4-7-21(28-15-16-2-5-19(23)6-3-16)18(12-17)14-24-10-8-20(25)9-11-24/h2-7,12,20,25H,8-11,13-15H2,1H3
InChIKeyNNNMOYJDEMENIW-UHFFFAOYSA-N
XLogP3.59
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[(4-chlorophenyl)methoxy]-3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]acetate with MolForge

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Related Compounds

methyl 2-[4-[(4-chlorophenyl)methoxy]-3-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]phenyl]acetate
CID 68843556
tert-butyl N-[[1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]methyl]carbamate
CID 91177004
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
2-[4-[(4-chlorophenyl)methoxy]-3-[(4-phenylmethoxycarbonylpiperazin-1-yl)methyl]phenyl]acetic acid
CID 68843097
2-[4-[(4-chlorophenyl)methoxy]-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]acetic acid
CID 68843033
methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
CID 561937
4-[[5-(2-methoxy-2-oxoethyl)-2-(3-methylbutoxy)phenyl]methyl]piperazine-1-carboxylic acid
CID 68843420
2-[4-[(4-chlorophenyl)methoxy]-3-[(4-thiophen-3-ylsulfonylpiperazin-1-yl)methyl]phenyl]acetic acid
CID 24878602
1-[1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 11156861
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
(4aS,9aS)-7-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-methyl-4a,5,6,8,9,9a-hexahydro-[1,4]oxazino[2,3-d]azepin-3-one
CID 110160323
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55558162

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(4-chlorophenyl)methoxy]-3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[4-[(4-chlorophenyl)methoxy]-3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]acetate (CID 68844211) is methyl 2-[4-[(4-chlorophenyl)methoxy]-3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[(4-chlorophenyl)methoxy]-3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[(4-chlorophenyl)methoxy]-3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]acetate is COC(=O)Cc1ccc(OCc2ccc(Cl)cc2)c(CN2CCC(O)CC2)c1.
What is the InChIKey of methyl 2-[4-[(4-chlorophenyl)methoxy]-3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]acetate?
The InChIKey is NNNMOYJDEMENIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO4/c1-27-22(26)13-17-4-7-21(28-15-16-2-5-19(23)6-3-16)18(12-17)14-24-10-8-20(25)9-11-24/h2-7,12,20,25H,8-11,13-15H2,1H3.
What are the key properties of methyl 2-[4-[(4-chlorophenyl)methoxy]-3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]acetate?
methyl 2-[4-[(4-chlorophenyl)methoxy]-3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]acetate has a molecular weight of 403.91 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(4-chlorophenyl)methoxy]-3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]acetate is sourced from PubChem (CID 68844211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).