[1-[(E)-3-(furan-2-yl)prop-2-enyl]-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol

C21H27NO3 — CID 42341709

IUPAC[1-[(E)-3-(furan-2-yl)prop-2-enyl]-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol
SMILESCOc1ccc(CC2(CO)CCN(C/C=C/c3ccco3)CC2)cc1
InChIInChI=1S/C21H27NO3/c1-24-19-8-6-18(7-9-19)16-21(17-23)10-13-22(14-11-21)12-2-4-20-5-3-15-25-20/h2-9,15,23H,10-14,16-17H2,1H3/b4-2+
InChIKeyNVHWMZZWEODRFQ-DUXPYHPUSA-N
MW341.45 g/mol
LogP3.62
Rot. Bonds7

About [1-[(E)-3-(furan-2-yl)prop-2-enyl]-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol

[1-[(E)-3-(furan-2-yl)prop-2-enyl]-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol (PubChem CID 42341709) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is [1-[(E)-3-(furan-2-yl)prop-2-enyl]-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(E)-3-(furan-2-yl)prop-2-enyl]-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol
PubChem CID42341709
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name[1-[(E)-3-(furan-2-yl)prop-2-enyl]-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol
SMILESCOc1ccc(CC2(CO)CCN(C/C=C/c3ccco3)CC2)cc1
InChIInChI=1S/C21H27NO3/c1-24-19-8-6-18(7-9-19)16-21(17-23)10-13-22(14-11-21)12-2-4-20-5-3-15-25-20/h2-9,15,23H,10-14,16-17H2,1H3/b4-2+
InChIKeyNVHWMZZWEODRFQ-DUXPYHPUSA-N
XLogP3.62
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propane-1,2-diol
CID 45237322
[4-[(4-methoxyphenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol
CID 26329256
[(3S)-3-ethyl-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol
CID 97129799
2-[(E)-2-(4-methoxyphenyl)ethenyl]furan
CID 11052638
(5S)-2-[(E)-3-(furan-2-yl)prop-2-enyl]-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane
CID 42404410
[1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 42558104
N-(3,3-diphenylpropyl)-6-[3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 75102703
9-[3-(4-methoxyphenyl)prop-2-enyl]-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene
CID 171146672
9-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene
CID 135103504
3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 963759
ethyl 4-[[(2R)-6-[(E)-3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 125165941
2-[(2R)-4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 98649458

Frequently Asked Questions

What is the IUPAC name of [1-[(E)-3-(furan-2-yl)prop-2-enyl]-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(E)-3-(furan-2-yl)prop-2-enyl]-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol (CID 42341709) is [1-[(E)-3-(furan-2-yl)prop-2-enyl]-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(E)-3-(furan-2-yl)prop-2-enyl]-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(E)-3-(furan-2-yl)prop-2-enyl]-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol is COc1ccc(CC2(CO)CCN(C/C=C/c3ccco3)CC2)cc1.
What is the InChIKey of [1-[(E)-3-(furan-2-yl)prop-2-enyl]-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol?
The InChIKey is NVHWMZZWEODRFQ-DUXPYHPUSA-N. The full InChI is InChI=1S/C21H27NO3/c1-24-19-8-6-18(7-9-19)16-21(17-23)10-13-22(14-11-21)12-2-4-20-5-3-15-25-20/h2-9,15,23H,10-14,16-17H2,1H3/b4-2+.
What are the key properties of [1-[(E)-3-(furan-2-yl)prop-2-enyl]-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol?
[1-[(E)-3-(furan-2-yl)prop-2-enyl]-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol has a molecular weight of 341.45 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-3-(furan-2-yl)prop-2-enyl]-4-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 42341709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).