N-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine

C14H24N2O2 — CID 28681139

IUPACN-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCCCOCc2ccco2)CC1
InChIInChI=1S/C14H24N2O2/c1-16-8-5-13(6-9-16)15-7-3-10-17-12-14-4-2-11-18-14/h2,4,11,13,15H,3,5-10,12H2,1H3
InChIKeyAJCNTUAVXYTTDO-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.87
Rot. Bonds7

About N-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine

N-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine (PubChem CID 28681139) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine
PubChem CID28681139
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCCCOCc2ccco2)CC1
InChIInChI=1S/C14H24N2O2/c1-16-8-5-13(6-9-16)15-7-3-10-17-12-14-4-2-11-18-14/h2,4,11,13,15H,3,5-10,12H2,1H3
InChIKeyAJCNTUAVXYTTDO-UHFFFAOYSA-N
XLogP1.87
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.87
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

N-[3-(furan-2-ylmethoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753620
N-[3-(furan-2-ylmethoxy)propyl]-4-propylcycloheptan-1-amine
CID 65087332
N-[3-(furan-2-ylmethoxy)propyl]-5,5-dimethylthian-3-amine
CID 79956139
N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine
CID 102671412
1-(furan-2-ylmethoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
CID 54949730
N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid
CID 17053047
N-[2-(furan-2-ylmethoxy)ethyl]-3-methylcyclohexan-1-amine
CID 62565180
N-[3-(furan-2-ylmethoxy)propyl]bicyclo[2.2.1]heptan-2-amine
CID 61308016
N-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43096825
N-[3-(furan-2-ylmethoxy)propyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 81296847
N-(cyclopentylmethyl)-3-(furan-2-ylmethoxy)propan-1-amine
CID 62071034
3-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
CID 86843944

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine (CID 28681139) is N-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine is CN1CCC(NCCCOCc2ccco2)CC1.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine?
The InChIKey is AJCNTUAVXYTTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16-8-5-13(6-9-16)15-7-3-10-17-12-14-4-2-11-18-14/h2,4,11,13,15H,3,5-10,12H2,1H3.
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine?
N-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine has a molecular weight of 252.36 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 28681139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).