2-[1-[(3-methylfuran-2-yl)methyl]piperidin-3-yl]ethanol

C13H21NO2 — CID 115882769

IUPAC2-[1-[(3-methylfuran-2-yl)methyl]piperidin-3-yl]ethanol
SMILESCc1ccoc1CN1CCCC(CCO)C1
InChIInChI=1S/C13H21NO2/c1-11-5-8-16-13(11)10-14-6-2-3-12(9-14)4-7-15/h5,8,12,15H,2-4,6-7,9-10H2,1H3
InChIKeyPSXDMERISXSVBR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.18
Rot. Bonds4

About 2-[1-[(3-methylfuran-2-yl)methyl]piperidin-3-yl]ethanol

2-[1-[(3-methylfuran-2-yl)methyl]piperidin-3-yl]ethanol (PubChem CID 115882769) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[1-[(3-methylfuran-2-yl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(3-methylfuran-2-yl)methyl]piperidin-3-yl]ethanol
PubChem CID115882769
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[1-[(3-methylfuran-2-yl)methyl]piperidin-3-yl]ethanol
SMILESCc1ccoc1CN1CCCC(CCO)C1
InChIInChI=1S/C13H21NO2/c1-11-5-8-16-13(11)10-14-6-2-3-12(9-14)4-7-15/h5,8,12,15H,2-4,6-7,9-10H2,1H3
InChIKeyPSXDMERISXSVBR-UHFFFAOYSA-N
XLogP2.18
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 2-[1-[(3-methylfuran-2-yl)methyl]piperidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-methylfuran-2-yl)methyl]piperidin-4-ol
CID 115880131
2-[4-[(3-methylfuran-2-yl)methyl]piperazin-1-yl]ethanol
CID 30704245
2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol
CID 62355946
2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol
CID 107227286
[(2S)-1-[(3-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 103885811
methyl 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 62355956
2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 107167021
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]ethanol
CID 112734344
2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol
CID 113346057
2-(1-propylpiperidin-3-yl)ethanol
CID 22987971
2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 62470433
[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 54793852

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methylfuran-2-yl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(3-methylfuran-2-yl)methyl]piperidin-3-yl]ethanol (CID 115882769) is 2-[1-[(3-methylfuran-2-yl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(3-methylfuran-2-yl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(3-methylfuran-2-yl)methyl]piperidin-3-yl]ethanol is Cc1ccoc1CN1CCCC(CCO)C1.
What is the InChIKey of 2-[1-[(3-methylfuran-2-yl)methyl]piperidin-3-yl]ethanol?
The InChIKey is PSXDMERISXSVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11-5-8-16-13(11)10-14-6-2-3-12(9-14)4-7-15/h5,8,12,15H,2-4,6-7,9-10H2,1H3.
What are the key properties of 2-[1-[(3-methylfuran-2-yl)methyl]piperidin-3-yl]ethanol?
2-[1-[(3-methylfuran-2-yl)methyl]piperidin-3-yl]ethanol has a molecular weight of 223.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methylfuran-2-yl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 115882769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).