2-(furan-2-yl)-1-[(4-piperidin-1-ylphenyl)methylamino]propan-2-ol

C19H26N2O2 — CID 111468727

IUPAC2-(furan-2-yl)-1-[(4-piperidin-1-ylphenyl)methylamino]propan-2-ol
SMILESCC(O)(CNCc1ccc(N2CCCCC2)cc1)c1ccco1
InChIInChI=1S/C19H26N2O2/c1-19(22,18-6-5-13-23-18)15-20-14-16-7-9-17(10-8-16)21-11-3-2-4-12-21/h5-10,13,20,22H,2-4,11-12,14-15H2,1H3
InChIKeyDPKNWYOMCLCCCY-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.27
Rot. Bonds6

About 2-(furan-2-yl)-1-[(4-piperidin-1-ylphenyl)methylamino]propan-2-ol

2-(furan-2-yl)-1-[(4-piperidin-1-ylphenyl)methylamino]propan-2-ol (PubChem CID 111468727) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-[(4-piperidin-1-ylphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-(furan-2-yl)-1-[(4-piperidin-1-ylphenyl)methylamino]propan-2-ol
PubChem CID111468727
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-(furan-2-yl)-1-[(4-piperidin-1-ylphenyl)methylamino]propan-2-ol
SMILESCC(O)(CNCc1ccc(N2CCCCC2)cc1)c1ccco1
InChIInChI=1S/C19H26N2O2/c1-19(22,18-6-5-13-23-18)15-20-14-16-7-9-17(10-8-16)21-11-3-2-4-12-21/h5-10,13,20,22H,2-4,11-12,14-15H2,1H3
InChIKeyDPKNWYOMCLCCCY-UHFFFAOYSA-N
XLogP3.27
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol
CID 111468637
4-[[4-(azepan-1-yl)phenyl]methylamino]-3,3-dimethylbutan-1-ol
CID 111470651
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43755063
(1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
CID 81392851
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440525
N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63061073
2-(furan-2-yl)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111468670
3,3-dimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]butan-1-amine
CID 115594019
2-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]propan-1-ol
CID 28725563
1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468634
1-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468690

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-[(4-piperidin-1-ylphenyl)methylamino]propan-2-ol?
The IUPAC name of 2-(furan-2-yl)-1-[(4-piperidin-1-ylphenyl)methylamino]propan-2-ol (CID 111468727) is 2-(furan-2-yl)-1-[(4-piperidin-1-ylphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 2-(furan-2-yl)-1-[(4-piperidin-1-ylphenyl)methylamino]propan-2-ol?
The canonical SMILES for 2-(furan-2-yl)-1-[(4-piperidin-1-ylphenyl)methylamino]propan-2-ol is CC(O)(CNCc1ccc(N2CCCCC2)cc1)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-1-[(4-piperidin-1-ylphenyl)methylamino]propan-2-ol?
The InChIKey is DPKNWYOMCLCCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-19(22,18-6-5-13-23-18)15-20-14-16-7-9-17(10-8-16)21-11-3-2-4-12-21/h5-10,13,20,22H,2-4,11-12,14-15H2,1H3.
What are the key properties of 2-(furan-2-yl)-1-[(4-piperidin-1-ylphenyl)methylamino]propan-2-ol?
2-(furan-2-yl)-1-[(4-piperidin-1-ylphenyl)methylamino]propan-2-ol has a molecular weight of 314.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-[(4-piperidin-1-ylphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 111468727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).