N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine

C12H20N2O — CID 81403796

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine
SMILESC[C@H](NC1CCN(C)CC1)c1ccco1
InChIInChI=1S/C12H20N2O/c1-10(12-4-3-9-15-12)13-11-5-7-14(2)8-6-11/h3-4,9-11,13H,5-8H2,1-2H3/t10-/m0/s1
InChIKeyOLHAJSKZKWYUKL-JTQLQIEISA-N
MW208.31 g/mol
LogP2.02
Rot. Bonds3

About N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine

N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine (PubChem CID 81403796) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine
PubChem CID81403796
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine
SMILESC[C@H](NC1CCN(C)CC1)c1ccco1
InChIInChI=1S/C12H20N2O/c1-10(12-4-3-9-15-12)13-11-5-7-14(2)8-6-11/h3-4,9-11,13H,5-8H2,1-2H3/t10-/m0/s1
InChIKeyOLHAJSKZKWYUKL-JTQLQIEISA-N
XLogP2.02
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine
CID 65070258
4-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 83261936
N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81403823
N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 81403840
(1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81403301
N-[(1R)-1-(furan-2-yl)ethyl]oxetan-3-amine
CID 81403066
1-[4-[1-(furan-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone
CID 43747621
N-[1-(furan-2-yl)ethyl]spiro[4.5]decan-8-amine
CID 114817252
N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730440
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 81402923
N-[(1R)-1-(furan-2-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 81402788
N-[(1S)-1-(furan-2-yl)ethyl]azepan-4-amine
CID 103982613

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine (CID 81403796) is N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine is C[C@H](NC1CCN(C)CC1)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine?
The InChIKey is OLHAJSKZKWYUKL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(12-4-3-9-15-12)13-11-5-7-14(2)8-6-11/h3-4,9-11,13H,5-8H2,1-2H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine?
N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine has a molecular weight of 208.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 81403796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).