1-(furan-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine

C14H22N2O — CID 45250487

IUPAC1-(furan-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine
SMILESc1cc(CN2CCCC(N3CCCC3)C2)co1
InChIInChI=1S/C14H22N2O/c1-2-8-16(7-1)14-4-3-6-15(11-14)10-13-5-9-17-12-13/h5,9,12,14H,1-4,6-8,10-11H2
InChIKeyUOLJOTWOWBYDGB-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.34
Rot. Bonds3

About 1-(furan-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine

1-(furan-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine (PubChem CID 45250487) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine
PubChem CID45250487
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(furan-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine
SMILESc1cc(CN2CCCC(N3CCCC3)C2)co1
InChIInChI=1S/C14H22N2O/c1-2-8-16(7-1)14-4-3-6-15(11-14)10-13-5-9-17-12-13/h5,9,12,14H,1-4,6-8,10-11H2
InChIKeyUOLJOTWOWBYDGB-UHFFFAOYSA-N
XLogP2.34
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[1-(furan-3-ylmethyl)piperidin-3-yl]piperazine-1-carboxylate
CID 45221664
1-(furan-3-ylmethyl)-N-methylpiperidin-3-amine
CID 63208656
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)aniline
CID 63149912
2-(pyridin-4-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79006212
2-[(4-methylphenyl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926733
(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 86333935
4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide
CID 95299028
2-[(6-chloro-3-pyridinyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 62112327
2-(pyridin-4-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79006299
2-[(2-chloro-4-pyridinyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78945351
[(3S)-1-[1-(furan-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 96577944
1-(furan-3-ylmethyl)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 119061305

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-(furan-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine (CID 45250487) is 1-(furan-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine is c1cc(CN2CCCC(N3CCCC3)C2)co1.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine?
The InChIKey is UOLJOTWOWBYDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-8-16(7-1)14-4-3-6-15(11-14)10-13-5-9-17-12-13/h5,9,12,14H,1-4,6-8,10-11H2.
What are the key properties of 1-(furan-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine?
1-(furan-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine has a molecular weight of 234.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 45250487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).