[4-[3-(4-benzylpiperidin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate

C24H29NO3 — CID 3462379

IUPAC[4-[3-(4-benzylpiperidin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(C=CCN2CCC(Cc3ccccc3)CC2)ccc1OC(C)=O
InChIInChI=1S/C24H29NO3/c1-19(26)28-23-11-10-21(18-24(23)27-2)9-6-14-25-15-12-22(13-16-25)17-20-7-4-3-5-8-20/h3-11,18,22H,12-17H2,1-2H3
InChIKeyHEIFSXGFLWFWKB-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.59
Rot. Bonds7

About [4-[3-(4-benzylpiperidin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate

[4-[3-(4-benzylpiperidin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate (PubChem CID 3462379) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is [4-[3-(4-benzylpiperidin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-[3-(4-benzylpiperidin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate
PubChem CID3462379
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name[4-[3-(4-benzylpiperidin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(C=CCN2CCC(Cc3ccccc3)CC2)ccc1OC(C)=O
InChIInChI=1S/C24H29NO3/c1-19(26)28-23-11-10-21(18-24(23)27-2)9-6-14-25-15-12-22(13-16-25)17-20-7-4-3-5-8-20/h3-11,18,22H,12-17H2,1-2H3
InChIKeyHEIFSXGFLWFWKB-UHFFFAOYSA-N
XLogP4.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[3-(4-cyclohexylpiperazin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate
CID 4665142
[4-[(Z)-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-enyl]-2-methoxyphenyl] acetate
CID 74224118
[4-[(E)-3-(4-benzylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-methoxyphenyl] N,N-dimethylcarbamate
CID 162670842
(E)-1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 46871936
[4-[(E)-3-(4-benzylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-methoxyphenyl] N-ethyl-N-methylcarbamate
CID 162667053
[4-[(Z)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-2-methoxyphenyl] acetate
CID 74228003
[2-methoxy-4-[3-[4-(4-nitrophenyl)piperazin-1-yl]prop-1-enyl]phenyl] acetate
CID 3773528
(E)-4-(4-benzylpiperidin-1-yl)but-2-enoic acid
CID 62343923
[2-methoxy-4-[3-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-1-enyl]phenyl] acetate
CID 3727595
(E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 15125273
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
1-[4-[2-(4-benzylpiperidin-1-yl)ethoxy]-3-methoxyphenyl]ethanone;oxalic acid
CID 2977850

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-benzylpiperidin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate?
The IUPAC name of [4-[3-(4-benzylpiperidin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate (CID 3462379) is [4-[3-(4-benzylpiperidin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate.
What is the SMILES notation for [4-[3-(4-benzylpiperidin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate?
The canonical SMILES for [4-[3-(4-benzylpiperidin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate is COc1cc(C=CCN2CCC(Cc3ccccc3)CC2)ccc1OC(C)=O.
What is the InChIKey of [4-[3-(4-benzylpiperidin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate?
The InChIKey is HEIFSXGFLWFWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-19(26)28-23-11-10-21(18-24(23)27-2)9-6-14-25-15-12-22(13-16-25)17-20-7-4-3-5-8-20/h3-11,18,22H,12-17H2,1-2H3.
What are the key properties of [4-[3-(4-benzylpiperidin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate?
[4-[3-(4-benzylpiperidin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate has a molecular weight of 379.50 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-benzylpiperidin-1-yl)prop-1-enyl]-2-methoxyphenyl] acetate is sourced from PubChem (CID 3462379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).