N-[furan-2-yl(phenyl)methyl]-1,2-dimethylpiperidin-4-amine

C18H24N2O — CID 81296842

IUPACN-[furan-2-yl(phenyl)methyl]-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(NC(c2ccccc2)c2ccco2)CCN1C
InChIInChI=1S/C18H24N2O/c1-14-13-16(10-11-20(14)2)19-18(17-9-6-12-21-17)15-7-4-3-5-8-15/h3-9,12,14,16,18-19H,10-11,13H2,1-2H3
InChIKeyLFHJOBUJWXDEGZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.44
Rot. Bonds4

About N-[furan-2-yl(phenyl)methyl]-1,2-dimethylpiperidin-4-amine

N-[furan-2-yl(phenyl)methyl]-1,2-dimethylpiperidin-4-amine (PubChem CID 81296842) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-1,2-dimethylpiperidin-4-amine
PubChem CID81296842
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[furan-2-yl(phenyl)methyl]-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(NC(c2ccccc2)c2ccco2)CCN1C
InChIInChI=1S/C18H24N2O/c1-14-13-16(10-11-20(14)2)19-18(17-9-6-12-21-17)15-7-4-3-5-8-15/h3-9,12,14,16,18-19H,10-11,13H2,1-2H3
InChIKeyLFHJOBUJWXDEGZ-UHFFFAOYSA-N
XLogP3.44
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine
CID 81302357
N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 119109266
N-[furan-2-yl(phenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 104531266
(2R)-2-[(1,2-dimethylpiperidin-4-yl)amino]-2-phenylethanol
CID 103788675
N-[furan-2-yl(phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752370
N-[(S)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 97229376
N-[(R)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 97229377
3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide
CID 81494459
N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride
CID 134094585
N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81300776
1,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
CID 81302365
N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 79690675

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-1,2-dimethylpiperidin-4-amine (CID 81296842) is N-[furan-2-yl(phenyl)methyl]-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-1,2-dimethylpiperidin-4-amine is CC1CC(NC(c2ccccc2)c2ccco2)CCN1C.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-1,2-dimethylpiperidin-4-amine?
The InChIKey is LFHJOBUJWXDEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-13-16(10-11-20(14)2)19-18(17-9-6-12-21-17)15-7-4-3-5-8-15/h3-9,12,14,16,18-19H,10-11,13H2,1-2H3.
What are the key properties of N-[furan-2-yl(phenyl)methyl]-1,2-dimethylpiperidin-4-amine?
N-[furan-2-yl(phenyl)methyl]-1,2-dimethylpiperidin-4-amine has a molecular weight of 284.40 g/mol, XLogP of 3.44, 4 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]-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 81296842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).