1-[1-[(5-chlorofuran-2-yl)methyl]azetidin-3-yl]piperidine

C13H19ClN2O — CID 77084530

IUPAC1-[1-[(5-chlorofuran-2-yl)methyl]azetidin-3-yl]piperidine
SMILESClc1ccc(CN2CC(N3CCCCC3)C2)o1
InChIInChI=1S/C13H19ClN2O/c14-13-5-4-12(17-13)10-15-8-11(9-15)16-6-2-1-3-7-16/h4-5,11H,1-3,6-10H2
InChIKeyUINXTBQGXJOVOU-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.60
Rot. Bonds3

About 1-[1-[(5-chlorofuran-2-yl)methyl]azetidin-3-yl]piperidine

1-[1-[(5-chlorofuran-2-yl)methyl]azetidin-3-yl]piperidine (PubChem CID 77084530) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-[1-[(5-chlorofuran-2-yl)methyl]azetidin-3-yl]piperidine.

Molecular Properties

Compound Name1-[1-[(5-chlorofuran-2-yl)methyl]azetidin-3-yl]piperidine
PubChem CID77084530
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-[1-[(5-chlorofuran-2-yl)methyl]azetidin-3-yl]piperidine
SMILESClc1ccc(CN2CC(N3CCCCC3)C2)o1
InChIInChI=1S/C13H19ClN2O/c14-13-5-4-12(17-13)10-15-8-11(9-15)16-6-2-1-3-7-16/h4-5,11H,1-3,6-10H2
InChIKeyUINXTBQGXJOVOU-UHFFFAOYSA-N
XLogP2.60
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
CID 63167064
2-[(5-methylfuran-2-yl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79925763
(3S,4R)-4-[4-[(5-chlorofuran-2-yl)methyl]-1,4-diazepan-1-yl]oxolan-3-ol
CID 133131382
[(2R)-4-[(5-chlorofuran-2-yl)methyl]-1-methylpiperazin-2-yl]methanol
CID 99933061
(9aS)-2-[(5-ethylfuran-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 77093175
1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine
CID 55159178
1-[1-[(3-methyl-1-benzofuran-2-yl)methyl]azetidin-3-yl]piperidine
CID 77083392
4-chloro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]aniline
CID 79583365
(9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 99930669
1-[(5-chlorofuran-2-yl)methyl]-6,6-dimethylazepan-4-ol
CID 131905273
5-(4-methylphenyl)-3-[(3-piperidin-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 91840884
[5-(azocan-1-ylmethyl)furan-2-yl]methanol
CID 115879764

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-chlorofuran-2-yl)methyl]azetidin-3-yl]piperidine?
The IUPAC name of 1-[1-[(5-chlorofuran-2-yl)methyl]azetidin-3-yl]piperidine (CID 77084530) is 1-[1-[(5-chlorofuran-2-yl)methyl]azetidin-3-yl]piperidine.
What is the SMILES notation for 1-[1-[(5-chlorofuran-2-yl)methyl]azetidin-3-yl]piperidine?
The canonical SMILES for 1-[1-[(5-chlorofuran-2-yl)methyl]azetidin-3-yl]piperidine is Clc1ccc(CN2CC(N3CCCCC3)C2)o1.
What is the InChIKey of 1-[1-[(5-chlorofuran-2-yl)methyl]azetidin-3-yl]piperidine?
The InChIKey is UINXTBQGXJOVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c14-13-5-4-12(17-13)10-15-8-11(9-15)16-6-2-1-3-7-16/h4-5,11H,1-3,6-10H2.
What are the key properties of 1-[1-[(5-chlorofuran-2-yl)methyl]azetidin-3-yl]piperidine?
1-[1-[(5-chlorofuran-2-yl)methyl]azetidin-3-yl]piperidine has a molecular weight of 254.76 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-chlorofuran-2-yl)methyl]azetidin-3-yl]piperidine is sourced from PubChem (CID 77084530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).