2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl acetate

C23H29NO4 — CID 70366445

IUPAC2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl acetate
SMILESCOc1ccc(C(OC2CCN(CCOC(C)=O)CC2)c2ccccc2)cc1
InChIInChI=1S/C23H29NO4/c1-18(25)27-17-16-24-14-12-22(13-15-24)28-23(19-6-4-3-5-7-19)20-8-10-21(26-2)11-9-20/h3-11,22-23H,12-17H2,1-2H3
InChIKeyPTOQXKJRYROYPW-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.83
Rot. Bonds8

About 2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl acetate

2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl acetate (PubChem CID 70366445) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl acetate
PubChem CID70366445
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl acetate
SMILESCOc1ccc(C(OC2CCN(CCOC(C)=O)CC2)c2ccccc2)cc1
InChIInChI=1S/C23H29NO4/c1-18(25)27-17-16-24-14-12-22(13-15-24)28-23(19-6-4-3-5-7-19)20-8-10-21(26-2)11-9-20/h3-11,22-23H,12-17H2,1-2H3
InChIKeyPTOQXKJRYROYPW-UHFFFAOYSA-N
XLogP3.83
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl ethaneperoxoate
CID 88610837
2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid
CID 19874276
but-2-enedioic acid;7-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]heptanoic acid
CID 67903102
2-[2-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetic acid
CID 19874364
bis[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl] (E)-but-2-enedioate
CID 67831085
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid
CID 158283333
ethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate
CID 10385289
methyl 6-[4-[phenyl-(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]hexanoate
CID 139601779
ethyl 6-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]hexanoate
CID 19874399
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine
CID 10969393
[(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate
CID 101478548
7-[4-[(4-ethylphenyl)-phenylmethoxy]piperidin-1-yl]heptanoic acid
CID 139601792

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl acetate?
The IUPAC name of 2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl acetate (CID 70366445) is 2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl acetate.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl acetate?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl acetate is COc1ccc(C(OC2CCN(CCOC(C)=O)CC2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl acetate?
The InChIKey is PTOQXKJRYROYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-18(25)27-17-16-24-14-12-22(13-15-24)28-23(19-6-4-3-5-7-19)20-8-10-21(26-2)11-9-20/h3-11,22-23H,12-17H2,1-2H3.
What are the key properties of 2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl acetate?
2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl acetate has a molecular weight of 383.49 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl acetate is sourced from PubChem (CID 70366445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).