1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol

C15H26N2O3 — CID 111466680

IUPAC1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)CNCc2ccc(CO)o2)CC1
InChIInChI=1S/C15H26N2O3/c1-12-4-6-17(7-5-12)10-13(19)8-16-9-14-2-3-15(11-18)20-14/h2-3,12-13,16,18-19H,4-11H2,1H3
InChIKeyXZNHCMQUHYMTLO-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.95
Rot. Bonds7

About 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol

1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 111466680) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID111466680
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)CNCc2ccc(CO)o2)CC1
InChIInChI=1S/C15H26N2O3/c1-12-4-6-17(7-5-12)10-13(19)8-16-9-14-2-3-15(11-18)20-14/h2-3,12-13,16,18-19H,4-11H2,1H3
InChIKeyXZNHCMQUHYMTLO-UHFFFAOYSA-N
XLogP0.95
TPSA68.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-fluorophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904890
4-[[[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]amino]methyl]-N-methylbenzamide
CID 110905164
[5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]furan-2-yl]methanol
CID 64592569
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol
CID 103699609
1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 111110859
[5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 115882309
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol
CID 111466623
2-(4-methylpiperidin-1-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 60957810
1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol
CID 110904840
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
CID 111112795
4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111422376
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 111466680) is 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol is CC1CCN(CC(O)CNCc2ccc(CO)o2)CC1.
What is the InChIKey of 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is XZNHCMQUHYMTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-12-4-6-17(7-5-12)10-13(19)8-16-9-14-2-3-15(11-18)20-14/h2-3,12-13,16,18-19H,4-11H2,1H3.
What are the key properties of 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 282.38 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 111466680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).