[4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanol

C13H21NO2 — CID 104695286

IUPAC[4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanol
SMILESCc1ccc(CN2CCC(C)(CO)CC2)o1
InChIInChI=1S/C13H21NO2/c1-11-3-4-12(16-11)9-14-7-5-13(2,10-15)6-8-14/h3-4,15H,5-10H2,1-2H3
InChIKeyUPMVRDACORKQQN-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.18
Rot. Bonds3

About [4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanol

[4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanol (PubChem CID 104695286) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanol
PubChem CID104695286
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanol
SMILESCc1ccc(CN2CCC(C)(CO)CC2)o1
InChIInChI=1S/C13H21NO2/c1-11-3-4-12(16-11)9-14-7-5-13(2,10-15)6-8-14/h3-4,15H,5-10H2,1-2H3
InChIKeyUPMVRDACORKQQN-UHFFFAOYSA-N
XLogP2.18
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxylic acid
CID 55179307
(5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 97482941
2-[(5-methylfuran-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115351
1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 65064757
[4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol
CID 104695288
(3R)-8-[(5-methylfuran-2-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371264
(1S)-2-methyl-7-[(5-methylfuran-2-yl)methyl]-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one
CID 97415576
(2R)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 95725868
[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methanol
CID 104694713
(4S)-2-methyl-8-[(5-methylfuran-2-yl)methyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 97415618
(3S,4S)-3-hydroxy-1-[(5-methylfuran-2-yl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 134714158
3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 62218058

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanol (CID 104695286) is [4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanol is Cc1ccc(CN2CCC(C)(CO)CC2)o1.
What is the InChIKey of [4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is UPMVRDACORKQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11-3-4-12(16-11)9-14-7-5-13(2,10-15)6-8-14/h3-4,15H,5-10H2,1-2H3.
What are the key properties of [4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanol?
[4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 223.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 104695286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).