(5Z)-5-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)pentan-1-ol

C18H25NO2 — CID 135003757

IUPAC(5Z)-5-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)pentan-1-ol
SMILESOCCCC/C=C1\Oc2ccccc2C1N1CCCCC1
InChIInChI=1S/C18H25NO2/c20-14-8-1-3-11-17-18(19-12-6-2-7-13-19)15-9-4-5-10-16(15)21-17/h4-5,9-11,18,20H,1-3,6-8,12-14H2/b17-11-
InChIKeyXNUZQIPILRBSHI-BOPFTXTBSA-N
MW287.40 g/mol
LogP3.65
Rot. Bonds5

About (5Z)-5-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)pentan-1-ol

(5Z)-5-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)pentan-1-ol (PubChem CID 135003757) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (5Z)-5-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)pentan-1-ol.

Molecular Properties

Compound Name(5Z)-5-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)pentan-1-ol
PubChem CID135003757
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(5Z)-5-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)pentan-1-ol
SMILESOCCCC/C=C1\Oc2ccccc2C1N1CCCCC1
InChIInChI=1S/C18H25NO2/c20-14-8-1-3-11-17-18(19-12-6-2-7-13-19)15-9-4-5-10-16(15)21-17/h4-5,9-11,18,20H,1-3,6-8,12-14H2/b17-11-
InChIKeyXNUZQIPILRBSHI-BOPFTXTBSA-N
XLogP3.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol
CID 5293868
(1E,2R)-2-methyl-1-[(3S)-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene]butan-2-ol
CID 7310794
(1E,2R)-2-methyl-1-[(3R)-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene]butan-2-ol
CID 7310791
(4Z)-4-(7-methoxy-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol
CID 135004473
1-(3H-1,2-benzodioxol-3-yl)piperidine
CID 174802317
1-(9H-xanthen-9-yl)azetidine-3-carboxylic acid
CID 65071597
1-[(E)-3-phenylprop-2-enyl]-4-(9H-xanthen-9-yl)piperazine
CID 15723913
3-(azepan-1-yl)-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 82187151
1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine
CID 125478085
3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]propan-1-ol
CID 11522885
5-cyclodecylidenepentan-1-ol
CID 24801376
(2-oxo-2-pyrrolidin-1-ylethyl) 9H-xanthene-9-carboxylate
CID 2573743

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)pentan-1-ol?
The IUPAC name of (5Z)-5-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)pentan-1-ol (CID 135003757) is (5Z)-5-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)pentan-1-ol.
What is the SMILES notation for (5Z)-5-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)pentan-1-ol?
The canonical SMILES for (5Z)-5-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)pentan-1-ol is OCCCC/C=C1\Oc2ccccc2C1N1CCCCC1.
What is the InChIKey of (5Z)-5-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)pentan-1-ol?
The InChIKey is XNUZQIPILRBSHI-BOPFTXTBSA-N. The full InChI is InChI=1S/C18H25NO2/c20-14-8-1-3-11-17-18(19-12-6-2-7-13-19)15-9-4-5-10-16(15)21-17/h4-5,9-11,18,20H,1-3,6-8,12-14H2/b17-11-.
What are the key properties of (5Z)-5-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)pentan-1-ol?
(5Z)-5-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)pentan-1-ol has a molecular weight of 287.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)pentan-1-ol is sourced from PubChem (CID 135003757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).