3-[1-(furan-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine

C13H22N2O2 — CID 79732216

IUPAC3-[1-(furan-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
SMILESNCCCOC1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C13H22N2O2/c14-5-1-8-17-13-2-6-15(7-3-13)10-12-4-9-16-11-12/h4,9,11,13H,1-3,5-8,10,14H2
InChIKeyAIFKIXXXAWFZEQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.61
Rot. Bonds6

About 3-[1-(furan-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine

3-[1-(furan-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine (PubChem CID 79732216) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[1-(furan-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-(furan-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
PubChem CID79732216
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-[1-(furan-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
SMILESNCCCOC1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C13H22N2O2/c14-5-1-8-17-13-2-6-15(7-3-13)10-12-4-9-16-11-12/h4,9,11,13H,1-3,5-8,10,14H2
InChIKeyAIFKIXXXAWFZEQ-UHFFFAOYSA-N
XLogP1.61
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzonitrile
CID 79732133
3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732218
3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732597
3-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxypropan-1-amine
CID 15234840
2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyethanamine
CID 82689141
2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 79731898
3-[1-[(3-bromothiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79736578
3-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 114851329
3-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79733104
3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732606
2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine
CID 82692849
3-[1-[(2-bromo-4-chlorophenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 81490932

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-(furan-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine (CID 79732216) is 3-[1-(furan-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-(furan-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-(furan-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine is NCCCOC1CCN(Cc2ccoc2)CC1.
What is the InChIKey of 3-[1-(furan-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine?
The InChIKey is AIFKIXXXAWFZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c14-5-1-8-17-13-2-6-15(7-3-13)10-12-4-9-16-11-12/h4,9,11,13H,1-3,5-8,10,14H2.
What are the key properties of 3-[1-(furan-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine?
3-[1-(furan-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 79732216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).