N-(furan-2-ylmethyl)-3-piperidin-2-ylpropan-1-amine

C13H22N2O — CID 62212334

IUPACN-(furan-2-ylmethyl)-3-piperidin-2-ylpropan-1-amine
SMILESc1coc(CNCCCC2CCCCN2)c1
InChIInChI=1S/C13H22N2O/c1-2-9-15-12(5-1)6-3-8-14-11-13-7-4-10-16-13/h4,7,10,12,14-15H,1-3,5-6,8-9,11H2
InChIKeyUTHHEHXMAACXAJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.29
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-piperidin-2-ylpropan-1-amine

N-(furan-2-ylmethyl)-3-piperidin-2-ylpropan-1-amine (PubChem CID 62212334) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-piperidin-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-piperidin-2-ylpropan-1-amine
PubChem CID62212334
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(furan-2-ylmethyl)-3-piperidin-2-ylpropan-1-amine
SMILESc1coc(CNCCCC2CCCCN2)c1
InChIInChI=1S/C13H22N2O/c1-2-9-15-12(5-1)6-3-8-14-11-13-7-4-10-16-13/h4,7,10,12,14-15H,1-3,5-6,8-9,11H2
InChIKeyUTHHEHXMAACXAJ-UHFFFAOYSA-N
XLogP2.29
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine
CID 62479770
1-(furan-2-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235911
N-[(4-methylsulfonylphenyl)methyl]-3-piperidin-2-ylpropan-1-amine
CID 62212890
3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 22213998
1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol
CID 110929404
(2R)-2-[3-[(1R)-1-(furan-2-yl)ethoxy]propyl]piperidine
CID 97162570
N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine
CID 18940745
2-[3-[1-(furan-2-yl)ethoxy]propyl]piperidine;hydrochloride
CID 71638045
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 66470212
N-(furan-2-ylmethyl)-N-(2-pyrrolidin-2-ylethyl)cyclopropanamine
CID 55003918
1-(azepan-2-yl)-N-[3-(furan-2-ylmethoxy)propyl]propan-2-amine
CID 79541309

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-piperidin-2-ylpropan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-3-piperidin-2-ylpropan-1-amine (CID 62212334) is N-(furan-2-ylmethyl)-3-piperidin-2-ylpropan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-piperidin-2-ylpropan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-3-piperidin-2-ylpropan-1-amine is c1coc(CNCCCC2CCCCN2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-piperidin-2-ylpropan-1-amine?
The InChIKey is UTHHEHXMAACXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-9-15-12(5-1)6-3-8-14-11-13-7-4-10-16-13/h4,7,10,12,14-15H,1-3,5-6,8-9,11H2.
What are the key properties of N-(furan-2-ylmethyl)-3-piperidin-2-ylpropan-1-amine?
N-(furan-2-ylmethyl)-3-piperidin-2-ylpropan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-piperidin-2-ylpropan-1-amine is sourced from PubChem (CID 62212334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).