(1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine

C13H22N2O — CID 81403301

IUPAC(1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
SMILESC[C@@H](NCC1CCN(C)CC1)c1ccco1
InChIInChI=1S/C13H22N2O/c1-11(13-4-3-9-16-13)14-10-12-5-7-15(2)8-6-12/h3-4,9,11-12,14H,5-8,10H2,1-2H3/t11-/m1/s1
InChIKeyGBECDCZEHXOACT-LLVKDONJSA-N
MW222.33 g/mol
LogP2.27
Rot. Bonds4

About (1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine

(1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine (PubChem CID 81403301) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
PubChem CID81403301
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
SMILESC[C@@H](NCC1CCN(C)CC1)c1ccco1
InChIInChI=1S/C13H22N2O/c1-11(13-4-3-9-16-13)14-10-12-5-7-15(2)8-6-12/h3-4,9,11-12,14H,5-8,10H2,1-2H3/t11-/m1/s1
InChIKeyGBECDCZEHXOACT-LLVKDONJSA-N
XLogP2.27
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81403787
N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine
CID 81403796
(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 81403117
(1R)-1-(furan-2-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]ethanamine
CID 97162320
1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 62655967
tert-butyl (3S)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 97175747
(1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81397127
(1R)-1-(2-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81379999
N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine
CID 65070258
1-(furan-2-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine
CID 63085135
(1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81365320
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81400767

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine (CID 81403301) is (1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine is C[C@@H](NCC1CCN(C)CC1)c1ccco1.
What is the InChIKey of (1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is GBECDCZEHXOACT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(13-4-3-9-16-13)14-10-12-5-7-15(2)8-6-12/h3-4,9,11-12,14H,5-8,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
(1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 81403301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).