(4Z)-4-(7-methoxy-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol

C18H25NO3 — CID 135004473

IUPAC(4Z)-4-(7-methoxy-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol
SMILESCOc1cccc2c1O/C(=C\CC(C)O)C2N1CCCCC1
InChIInChI=1S/C18H25NO3/c1-13(20)9-10-15-17(19-11-4-3-5-12-19)14-7-6-8-16(21-2)18(14)22-15/h6-8,10,13,17,20H,3-5,9,11-12H2,1-2H3/b15-10-
InChIKeyRPKXGTWRAOZBNH-GDNBJRDFSA-N
MW303.40 g/mol
LogP3.27
Rot. Bonds4

About (4Z)-4-(7-methoxy-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol

(4Z)-4-(7-methoxy-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol (PubChem CID 135004473) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (4Z)-4-(7-methoxy-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol.

Molecular Properties

Compound Name(4Z)-4-(7-methoxy-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol
PubChem CID135004473
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(4Z)-4-(7-methoxy-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol
SMILESCOc1cccc2c1O/C(=C\CC(C)O)C2N1CCCCC1
InChIInChI=1S/C18H25NO3/c1-13(20)9-10-15-17(19-11-4-3-5-12-19)14-7-6-8-16(21-2)18(14)22-15/h6-8,10,13,17,20H,3-5,9,11-12H2,1-2H3/b15-10-
InChIKeyRPKXGTWRAOZBNH-GDNBJRDFSA-N
XLogP3.27
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4Z)-4-(7-methoxy-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 82188688
8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188687
5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-9-methoxy-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione
CID 4974461
3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol
CID 115838559
2-amino-2-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)acetic acid
CID 83912173
1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63165717
ethyl (2E)-2-(4-hydroxy-8-methoxy-3,4-dihydrochromen-2-ylidene)acetate
CID 102264281
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol
CID 114338111
2-[(6S,7R,8R)-7-ethyl-6-pyrrolidin-1-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-6-methoxyphenol
CID 95906994
1-[2-(2-methoxyphenyl)morpholin-4-yl]-2-methylpropan-1-one
CID 167278438
2-[2-(2,3-dimethoxyphenyl)morpholin-4-yl]propanoic acid
CID 57242341
2-(3,4-dichlorophenyl)-N-(8-methoxy-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl)-N-methylacetamide
CID 22120707

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(7-methoxy-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol?
The IUPAC name of (4Z)-4-(7-methoxy-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol (CID 135004473) is (4Z)-4-(7-methoxy-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol.
What is the SMILES notation for (4Z)-4-(7-methoxy-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol?
The canonical SMILES for (4Z)-4-(7-methoxy-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol is COc1cccc2c1O/C(=C\CC(C)O)C2N1CCCCC1.
What is the InChIKey of (4Z)-4-(7-methoxy-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol?
The InChIKey is RPKXGTWRAOZBNH-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13(20)9-10-15-17(19-11-4-3-5-12-19)14-7-6-8-16(21-2)18(14)22-15/h6-8,10,13,17,20H,3-5,9,11-12H2,1-2H3/b15-10-.
What are the key properties of (4Z)-4-(7-methoxy-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol?
(4Z)-4-(7-methoxy-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol has a molecular weight of 303.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(7-methoxy-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol is sourced from PubChem (CID 135004473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).