(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine

C13H22N2O — CID 81403787

IUPAC(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
SMILESC[C@H](NCC1CCCN(C)C1)c1ccco1
InChIInChI=1S/C13H22N2O/c1-11(13-6-4-8-16-13)14-9-12-5-3-7-15(2)10-12/h4,6,8,11-12,14H,3,5,7,9-10H2,1-2H3/t11-,12?/m0/s1
InChIKeyHHYRHSBHXNDFLI-PXYINDEMSA-N
MW222.33 g/mol
LogP2.27
Rot. Bonds4

About (1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine

(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine (PubChem CID 81403787) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
PubChem CID81403787
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
SMILESC[C@H](NCC1CCCN(C)C1)c1ccco1
InChIInChI=1S/C13H22N2O/c1-11(13-6-4-8-16-13)14-9-12-5-3-7-15(2)10-12/h4,6,8,11-12,14H,3,5,7,9-10H2,1-2H3/t11-,12?/m0/s1
InChIKeyHHYRHSBHXNDFLI-PXYINDEMSA-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

(1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81403301
(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
CID 81350574
1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 113437537
(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 81403117
(1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81379189
N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 62090707
N-(2-cyclopentylethyl)-1-(furan-2-yl)ethanamine
CID 60919683
N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine
CID 65070258
(1R)-1-(furan-2-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]ethanamine
CID 97162320
1-(furan-2-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine
CID 63085135
tert-butyl (3S)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 97175747
N-(2-cyclohexylethyl)-1-(furan-2-yl)ethanamine
CID 60919809

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine (CID 81403787) is (1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine is C[C@H](NCC1CCCN(C)C1)c1ccco1.
What is the InChIKey of (1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine?
The InChIKey is HHYRHSBHXNDFLI-PXYINDEMSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(13-6-4-8-16-13)14-9-12-5-3-7-15(2)10-12/h4,6,8,11-12,14H,3,5,7,9-10H2,1-2H3/t11-,12?/m0/s1.
What are the key properties of (1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine?
(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-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 (1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 81403787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).