1-[1-[3-(furan-2-yl)propyl]azetidin-3-yl]-2-methylpiperidine

C16H26N2O — CID 91840192

IUPAC1-[1-[3-(furan-2-yl)propyl]azetidin-3-yl]-2-methylpiperidine
SMILESCC1CCCCN1C1CN(CCCc2ccco2)C1
InChIInChI=1S/C16H26N2O/c1-14-6-2-3-10-18(14)15-12-17(13-15)9-4-7-16-8-5-11-19-16/h5,8,11,14-15H,2-4,6-7,9-10,12-13H2,1H3
InChIKeyYGUZKAUAADGBPC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.77
Rot. Bonds5

About 1-[1-[3-(furan-2-yl)propyl]azetidin-3-yl]-2-methylpiperidine

1-[1-[3-(furan-2-yl)propyl]azetidin-3-yl]-2-methylpiperidine (PubChem CID 91840192) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[1-[3-(furan-2-yl)propyl]azetidin-3-yl]-2-methylpiperidine.

Molecular Properties

Compound Name1-[1-[3-(furan-2-yl)propyl]azetidin-3-yl]-2-methylpiperidine
PubChem CID91840192
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[1-[3-(furan-2-yl)propyl]azetidin-3-yl]-2-methylpiperidine
SMILESCC1CCCCN1C1CN(CCCc2ccco2)C1
InChIInChI=1S/C16H26N2O/c1-14-6-2-3-10-18(14)15-12-17(13-15)9-4-7-16-8-5-11-19-16/h5,8,11,14-15H,2-4,6-7,9-10,12-13H2,1H3
InChIKeyYGUZKAUAADGBPC-UHFFFAOYSA-N
XLogP2.77
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(furan-2-yl)propyl]piperidine
CID 162740839
3-[3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propyl]pyridine
CID 124749207
2-[2-(furan-2-yl)ethyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926000
4-[3-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]propoxy]benzoic acid
CID 91828422
2-methyl-1-[1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]azetidin-3-yl]piperidine
CID 91833528
3-ethyl-2-[2-(furan-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926089
3-[(2S)-1-[3-(furan-2-yl)propyl]piperidin-2-yl]-5-methyl-1,2-oxazole
CID 125175909
2-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926095
(2S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]azetidin-3-yl]-2-methylpiperidine
CID 95712860
[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124753964
N-[3-(furan-2-yl)propyl]cycloheptanamine
CID 60984430
2-[3-[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126431614

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(furan-2-yl)propyl]azetidin-3-yl]-2-methylpiperidine?
The IUPAC name of 1-[1-[3-(furan-2-yl)propyl]azetidin-3-yl]-2-methylpiperidine (CID 91840192) is 1-[1-[3-(furan-2-yl)propyl]azetidin-3-yl]-2-methylpiperidine.
What is the SMILES notation for 1-[1-[3-(furan-2-yl)propyl]azetidin-3-yl]-2-methylpiperidine?
The canonical SMILES for 1-[1-[3-(furan-2-yl)propyl]azetidin-3-yl]-2-methylpiperidine is CC1CCCCN1C1CN(CCCc2ccco2)C1.
What is the InChIKey of 1-[1-[3-(furan-2-yl)propyl]azetidin-3-yl]-2-methylpiperidine?
The InChIKey is YGUZKAUAADGBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-6-2-3-10-18(14)15-12-17(13-15)9-4-7-16-8-5-11-19-16/h5,8,11,14-15H,2-4,6-7,9-10,12-13H2,1H3.
What are the key properties of 1-[1-[3-(furan-2-yl)propyl]azetidin-3-yl]-2-methylpiperidine?
1-[1-[3-(furan-2-yl)propyl]azetidin-3-yl]-2-methylpiperidine has a molecular weight of 262.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(furan-2-yl)propyl]azetidin-3-yl]-2-methylpiperidine is sourced from PubChem (CID 91840192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).