1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrrolidin-1-ylpiperidine

C21H28N2O — CID 45223069

IUPAC1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrrolidin-1-ylpiperidine
SMILESCc1ccc(-c2ccccc2CN2CCCC(N3CCCC3)C2)o1
InChIInChI=1S/C21H28N2O/c1-17-10-11-21(24-17)20-9-3-2-7-18(20)15-22-12-6-8-19(16-22)23-13-4-5-14-23/h2-3,7,9-11,19H,4-6,8,12-16H2,1H3
InChIKeyRCQJXHPZMKQYTB-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.32
Rot. Bonds4

About 1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrrolidin-1-ylpiperidine

1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrrolidin-1-ylpiperidine (PubChem CID 45223069) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrrolidin-1-ylpiperidine
PubChem CID45223069
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrrolidin-1-ylpiperidine
SMILESCc1ccc(-c2ccccc2CN2CCCC(N3CCCC3)C2)o1
InChIInChI=1S/C21H28N2O/c1-17-10-11-21(24-17)20-9-3-2-7-18(20)15-22-12-6-8-19(16-22)23-13-4-5-14-23/h2-3,7,9-11,19H,4-6,8,12-16H2,1H3
InChIKeyRCQJXHPZMKQYTB-UHFFFAOYSA-N
XLogP4.32
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
(9aS)-2-[(2-chlorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124738363
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)phenol
CID 82980243
(9aS)-2-(naphthalen-1-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 95053254
N-[[(3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 95205463
2-[(2-fluorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234263
2-[[2-(difluoromethylsulfanyl)phenyl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234490
2-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]benzoic acid
CID 56703546
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]morpholine
CID 172905616
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-methylaniline
CID 79941262
2-[(2-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929865
2-[(5-methylthiophen-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79938951

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrrolidin-1-ylpiperidine (CID 45223069) is 1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrrolidin-1-ylpiperidine is Cc1ccc(-c2ccccc2CN2CCCC(N3CCCC3)C2)o1.
What is the InChIKey of 1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrrolidin-1-ylpiperidine?
The InChIKey is RCQJXHPZMKQYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-17-10-11-21(24-17)20-9-3-2-7-18(20)15-22-12-6-8-19(16-22)23-13-4-5-14-23/h2-3,7,9-11,19H,4-6,8,12-16H2,1H3.
What are the key properties of 1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrrolidin-1-ylpiperidine?
1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrrolidin-1-ylpiperidine has a molecular weight of 324.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 45223069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).