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

C13H22N2O — CID 81403117

IUPAC(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
SMILESC[C@H](NCC1CCCCN1C)c1ccco1
InChIInChI=1S/C13H22N2O/c1-11(13-7-5-9-16-13)14-10-12-6-3-4-8-15(12)2/h5,7,9,11-12,14H,3-4,6,8,10H2,1-2H3/t11-,12?/m0/s1
InChIKeyFJPKYXXBOWPWIL-PXYINDEMSA-N
MW222.33 g/mol
LogP2.41
Rot. Bonds4

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

(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine (PubChem CID 81403117) 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-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
PubChem CID81403117
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
SMILESC[C@H](NCC1CCCCN1C)c1ccco1
InChIInChI=1S/C13H22N2O/c1-11(13-7-5-9-16-13)14-10-12-6-3-4-8-15(12)2/h5,7,9,11-12,14H,3-4,6,8,10H2,1-2H3/t11-,12?/m0/s1
InChIKeyFJPKYXXBOWPWIL-PXYINDEMSA-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

(1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81403301
tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate
CID 97175699
(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81403787
(1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 81349160
1-[1-[1-(furan-2-yl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249658
(1S)-1-(3-bromophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 81381366
1-(furan-2-yl)-N-(oxan-2-ylmethyl)ethanamine
CID 43403758
N-(2-cyclopentylethyl)-1-(furan-2-yl)ethanamine
CID 60919683
N-(2-cyclohexylethyl)-1-(furan-2-yl)ethanamine
CID 60919809
1-(4-bromo-2-fluorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 82963875
1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 113260530
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81400744

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine (CID 81403117) is (1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine is C[C@H](NCC1CCCCN1C)c1ccco1.
What is the InChIKey of (1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine?
The InChIKey is FJPKYXXBOWPWIL-PXYINDEMSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(13-7-5-9-16-13)14-10-12-6-3-4-8-15(12)2/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-[(1-methylpiperidin-2-yl)methyl]ethanamine?
(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-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-[(1-methylpiperidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 81403117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).