[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol

C14H23NO3 — CID 112548894

IUPAC[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol
SMILESCCCOC1CCCN(Cc2ccc(CO)o2)C1
InChIInChI=1S/C14H23NO3/c1-2-8-17-12-4-3-7-15(9-12)10-13-5-6-14(11-16)18-13/h5-6,12,16H,2-4,7-11H2,1H3
InChIKeyXTAMWVLNCGGTHB-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.16
Rot. Bonds6

About [5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol

[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol (PubChem CID 112548894) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is [5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol
PubChem CID112548894
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol
SMILESCCCOC1CCCN(Cc2ccc(CO)o2)C1
InChIInChI=1S/C14H23NO3/c1-2-8-17-12-4-3-7-15(9-12)10-13-5-6-14(11-16)18-13/h5-6,12,16H,2-4,7-11H2,1H3
InChIKeyXTAMWVLNCGGTHB-UHFFFAOYSA-N
XLogP2.16
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62411193
4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 115413955
N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide
CID 95123718
4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 54985711
3-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 82986062
N-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62411545
[5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 115882309
3-[(3-propoxypiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63578962
4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 103947572
2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 107694025
ethyl 4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45250188
[5-(azocan-1-ylmethyl)furan-2-yl]methanol
CID 115879764

Frequently Asked Questions

What is the IUPAC name of [5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol (CID 112548894) is [5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol is CCCOC1CCCN(Cc2ccc(CO)o2)C1.
What is the InChIKey of [5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol?
The InChIKey is XTAMWVLNCGGTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-8-17-12-4-3-7-15(9-12)10-13-5-6-14(11-16)18-13/h5-6,12,16H,2-4,7-11H2,1H3.
What are the key properties of [5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol?
[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol has a molecular weight of 253.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol is sourced from PubChem (CID 112548894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).