1-[1-(furan-3-yl)ethyl]-N,4-dimethylpiperidin-4-amine

C13H22N2O — CID 115304222

IUPAC1-[1-(furan-3-yl)ethyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(C(C)c2ccoc2)CC1
InChIInChI=1S/C13H22N2O/c1-11(12-4-9-16-10-12)15-7-5-13(2,14-3)6-8-15/h4,9-11,14H,5-8H2,1-3H3
InChIKeyFFIVVPRPUVHKPH-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.41
Rot. Bonds3

About 1-[1-(furan-3-yl)ethyl]-N,4-dimethylpiperidin-4-amine

1-[1-(furan-3-yl)ethyl]-N,4-dimethylpiperidin-4-amine (PubChem CID 115304222) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[1-(furan-3-yl)ethyl]-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-(furan-3-yl)ethyl]-N,4-dimethylpiperidin-4-amine
PubChem CID115304222
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[1-(furan-3-yl)ethyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(C(C)c2ccoc2)CC1
InChIInChI=1S/C13H22N2O/c1-11(12-4-9-16-10-12)15-7-5-13(2,14-3)6-8-15/h4,9-11,14H,5-8H2,1-3H3
InChIKeyFFIVVPRPUVHKPH-UHFFFAOYSA-N
XLogP2.41
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine
CID 115304077
N,4-dimethyl-1-[1-(3-methylpyrazin-2-yl)ethyl]piperidin-4-amine
CID 114080434
N,4-dimethyl-1-(1-pyridin-2-ylethyl)piperidin-4-amine
CID 115304187
4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol
CID 115304157
N,4-dimethyl-1-(1-pyrazin-2-ylethyl)piperidin-4-amine
CID 113282824
1-[1-(2-methoxy-5-methylphenyl)ethyl]-N,4-dimethylpiperidin-4-amine
CID 115304050
1-[1-[2-(difluoromethoxy)phenyl]ethyl]-N,4-dimethylpiperidin-4-amine
CID 115304160
1-(furan-3-yl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79060580
1-(furan-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine
CID 105146736
1-[1-(4-fluorophenyl)propan-2-yl]-N,4-dimethylpiperidin-4-amine
CID 114794766
(3S)-N,3-dimethyl-1-propan-2-ylpyrrolidin-3-amine
CID 166707515
1-[1-(furan-3-yl)ethyl]-4-methylpyrrolidin-3-amine
CID 103575621

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-3-yl)ethyl]-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-[1-(furan-3-yl)ethyl]-N,4-dimethylpiperidin-4-amine (CID 115304222) is 1-[1-(furan-3-yl)ethyl]-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[1-(furan-3-yl)ethyl]-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[1-(furan-3-yl)ethyl]-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(C(C)c2ccoc2)CC1.
What is the InChIKey of 1-[1-(furan-3-yl)ethyl]-N,4-dimethylpiperidin-4-amine?
The InChIKey is FFIVVPRPUVHKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(12-4-9-16-10-12)15-7-5-13(2,14-3)6-8-15/h4,9-11,14H,5-8H2,1-3H3.
What are the key properties of 1-[1-(furan-3-yl)ethyl]-N,4-dimethylpiperidin-4-amine?
1-[1-(furan-3-yl)ethyl]-N,4-dimethylpiperidin-4-amine has a molecular weight of 222.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-3-yl)ethyl]-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 115304222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).