[1-(1-benzofuran-5-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol

C18H23NO2 — CID 70783462

IUPAC[1-(1-benzofuran-5-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CCC1(CO)CCCN(Cc2ccc3occc3c2)C1
InChIInChI=1S/C18H23NO2/c1-2-7-18(14-20)8-3-9-19(13-18)12-15-4-5-17-16(11-15)6-10-21-17/h2,4-6,10-11,20H,1,3,7-9,12-14H2
InChIKeyVUHYFKSMKAKVRH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.58
Rot. Bonds5

About [1-(1-benzofuran-5-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol

[1-(1-benzofuran-5-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol (PubChem CID 70783462) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [1-(1-benzofuran-5-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1-benzofuran-5-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol
PubChem CID70783462
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[1-(1-benzofuran-5-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CCC1(CO)CCCN(Cc2ccc3occc3c2)C1
InChIInChI=1S/C18H23NO2/c1-2-7-18(14-20)8-3-9-19(13-18)12-15-4-5-17-16(11-15)6-10-21-17/h2,4-6,10-11,20H,1,3,7-9,12-14H2
InChIKeyVUHYFKSMKAKVRH-UHFFFAOYSA-N
XLogP3.58
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzofuran-5-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70707879
[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol
CID 97144601
5-[[(3S)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methyl]-2-methoxybenzoic acid
CID 97123499
5-[[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methyl]-2-methoxybenzoic acid
CID 97123500
[5-[[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol
CID 97131931
(5R)-9-(1-benzofuran-5-ylmethyl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95719928
[(3R)-3-prop-2-enyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol
CID 97146793
[(3S)-1-(furan-3-ylmethyl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol
CID 97122464
[1-[(1-ethylbenzimidazol-2-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol
CID 70736382
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol
CID 86283580
[(3R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-prop-2-enylpiperidin-3-yl]methanol
CID 97117424
1-(1-benzofuran-5-ylmethyl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid
CID 166268022

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzofuran-5-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol?
The IUPAC name of [1-(1-benzofuran-5-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol (CID 70783462) is [1-(1-benzofuran-5-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(1-benzofuran-5-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(1-benzofuran-5-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol is C=CCC1(CO)CCCN(Cc2ccc3occc3c2)C1.
What is the InChIKey of [1-(1-benzofuran-5-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol?
The InChIKey is VUHYFKSMKAKVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-7-18(14-20)8-3-9-19(13-18)12-15-4-5-17-16(11-15)6-10-21-17/h2,4-6,10-11,20H,1,3,7-9,12-14H2.
What are the key properties of [1-(1-benzofuran-5-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol?
[1-(1-benzofuran-5-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol has a molecular weight of 285.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzofuran-5-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol is sourced from PubChem (CID 70783462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).