(2S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]azetidin-3-yl]-2-methylpiperidine

C16H26N2O — CID 95712860

IUPAC(2S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]azetidin-3-yl]-2-methylpiperidine
SMILESCc1cc(CN2CC(N3CCCC[C@@H]3C)C2)oc1C
InChIInChI=1S/C16H26N2O/c1-12-8-16(19-14(12)3)11-17-9-15(10-17)18-7-5-4-6-13(18)2/h8,13,15H,4-7,9-11H2,1-3H3/t13-/m0/s1
InChIKeyCYSAJXJRDLCGFT-ZDUSSCGKSA-N
MW262.40 g/mol
LogP2.96
Rot. Bonds3

About (2S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]azetidin-3-yl]-2-methylpiperidine

(2S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]azetidin-3-yl]-2-methylpiperidine (PubChem CID 95712860) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]azetidin-3-yl]-2-methylpiperidine.

Molecular Properties

Compound Name(2S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]azetidin-3-yl]-2-methylpiperidine
PubChem CID95712860
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]azetidin-3-yl]-2-methylpiperidine
SMILESCc1cc(CN2CC(N3CCCC[C@@H]3C)C2)oc1C
InChIInChI=1S/C16H26N2O/c1-12-8-16(19-14(12)3)11-17-9-15(10-17)18-7-5-4-6-13(18)2/h8,13,15H,4-7,9-11H2,1-3H3/t13-/m0/s1
InChIKeyCYSAJXJRDLCGFT-ZDUSSCGKSA-N
XLogP2.96
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]azetidin-3-yl]piperidine
CID 91833528
3-[5-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 131909002
(2S)-1-[1-[(1-ethylpyrazol-3-yl)methyl]azetidin-3-yl]-2-methylpiperidine
CID 124751575
2-(2-ethoxyphenyl)-5-methyl-4-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole
CID 95204232
2-[3-methyl-4-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 95388512
1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 29021888
1-[1-[3-(furan-2-yl)propyl]azetidin-3-yl]-2-methylpiperidine
CID 91840192
[2-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 62428192
5-methoxy-2-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-pyridin-4-one
CID 91843524
(3aR,4R,7aS)-2-[(4,5-dimethylfuran-2-yl)methyl]-4-ethyl-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol
CID 135116887
N-[[2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62437586
N-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide
CID 124846510

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]azetidin-3-yl]-2-methylpiperidine?
The IUPAC name of (2S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]azetidin-3-yl]-2-methylpiperidine (CID 95712860) is (2S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]azetidin-3-yl]-2-methylpiperidine.
What is the SMILES notation for (2S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]azetidin-3-yl]-2-methylpiperidine?
The canonical SMILES for (2S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]azetidin-3-yl]-2-methylpiperidine is Cc1cc(CN2CC(N3CCCC[C@@H]3C)C2)oc1C.
What is the InChIKey of (2S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]azetidin-3-yl]-2-methylpiperidine?
The InChIKey is CYSAJXJRDLCGFT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-8-16(19-14(12)3)11-17-9-15(10-17)18-7-5-4-6-13(18)2/h8,13,15H,4-7,9-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]azetidin-3-yl]-2-methylpiperidine?
(2S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]azetidin-3-yl]-2-methylpiperidine has a molecular weight of 262.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]azetidin-3-yl]-2-methylpiperidine is sourced from PubChem (CID 95712860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).