(1S)-1-(furan-2-yl)-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine

C13H22N2O — CID 97162149

IUPAC(1S)-1-(furan-2-yl)-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
SMILESC[C@@H](c1ccco1)N(C)C[C@@H]1CCCCN1
InChIInChI=1S/C13H22N2O/c1-11(13-7-5-9-16-13)15(2)10-12-6-3-4-8-14-12/h5,7,9,11-12,14H,3-4,6,8,10H2,1-2H3/t11-,12-/m0/s1
InChIKeyWGSUSMLEWQYMSA-RYUDHWBXSA-N
MW222.33 g/mol
LogP2.41
Rot. Bonds4

About (1S)-1-(furan-2-yl)-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine

(1S)-1-(furan-2-yl)-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine (PubChem CID 97162149) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
PubChem CID97162149
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(1S)-1-(furan-2-yl)-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
SMILESC[C@@H](c1ccco1)N(C)C[C@@H]1CCCCN1
InChIInChI=1S/C13H22N2O/c1-11(13-7-5-9-16-13)15(2)10-12-6-3-4-8-14-12/h5,7,9,11-12,14H,3-4,6,8,10H2,1-2H3/t11-,12-/m0/s1
InChIKeyWGSUSMLEWQYMSA-RYUDHWBXSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602720
N-[1-(furan-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604775
(2R)-2-[[(1R)-1-(furan-2-yl)ethoxy]methyl]piperidine
CID 97162402
N-methyl-N-(piperidin-2-ylmethyl)-1-pyridin-4-ylethanamine
CID 106623108
1-(2-methoxyphenyl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106623052
1-(1,3-benzodioxol-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622998
N-methyl-1-(3-methylpyrazin-2-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 114080441
N-[1-(furan-2-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79549697
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622995
1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819503
1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine
CID 79560545
3-[1-[methyl(piperidin-2-ylmethyl)amino]ethyl]benzonitrile
CID 106623014

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine?
The IUPAC name of (1S)-1-(furan-2-yl)-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine (CID 97162149) is (1S)-1-(furan-2-yl)-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for (1S)-1-(furan-2-yl)-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for (1S)-1-(furan-2-yl)-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine is C[C@@H](c1ccco1)N(C)C[C@@H]1CCCCN1.
What is the InChIKey of (1S)-1-(furan-2-yl)-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine?
The InChIKey is WGSUSMLEWQYMSA-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(13-7-5-9-16-13)15(2)10-12-6-3-4-8-14-12/h5,7,9,11-12,14H,3-4,6,8,10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (1S)-1-(furan-2-yl)-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine?
(1S)-1-(furan-2-yl)-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-2-yl)-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 97162149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).