N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine

C19H26N2O — CID 119109266

IUPACN-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NC(c2ccccc2)c2ccco2)CC1
InChIInChI=1S/C19H26N2O/c1-15(2)21-12-10-17(11-13-21)20-19(18-9-6-14-22-18)16-7-4-3-5-8-16/h3-9,14-15,17,19-20H,10-13H2,1-2H3
InChIKeyAAEBWBUDKDXOGV-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.83
Rot. Bonds5

About N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine

N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 119109266) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID119109266
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NC(c2ccccc2)c2ccco2)CC1
InChIInChI=1S/C19H26N2O/c1-15(2)21-12-10-17(11-13-21)20-19(18-9-6-14-22-18)16-7-4-3-5-8-16/h3-9,14-15,17,19-20H,10-13H2,1-2H3
InChIKeyAAEBWBUDKDXOGV-UHFFFAOYSA-N
XLogP3.83
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[furan-2-yl(phenyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 81296842
N-[furan-2-yl(phenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 104531266
N-[(R)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 97229377
N-[(S)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 97229376
N-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine
CID 81302357
N-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 43206638
N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine
CID 43182970
N-[furan-2-yl(phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752370
N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride
CID 134094585
N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine
CID 81403796
1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine
CID 115707858
1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine
CID 43224396

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine (CID 119109266) is N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(NC(c2ccccc2)c2ccco2)CC1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is AAEBWBUDKDXOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-15(2)21-12-10-17(11-13-21)20-19(18-9-6-14-22-18)16-7-4-3-5-8-16/h3-9,14-15,17,19-20H,10-13H2,1-2H3.
What are the key properties of N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine?
N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 298.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 119109266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).