methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate

C14H22N2O3 — CID 63596044

IUPACmethyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2CCC(C(C)N)CC2)o1
InChIInChI=1S/C14H22N2O3/c1-10(15)11-5-7-16(8-6-11)9-12-3-4-13(19-12)14(17)18-2/h3-4,10-11H,5-9,15H2,1-2H3
InChIKeyVAZHEOSBFXKFIE-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.63
Rot. Bonds4

About methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate

methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate (PubChem CID 63596044) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
PubChem CID63596044
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namemethyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2CCC(C(C)N)CC2)o1
InChIInChI=1S/C14H22N2O3/c1-10(15)11-5-7-16(8-6-11)9-12-3-4-13(19-12)14(17)18-2/h3-4,10-11H,5-9,15H2,1-2H3
InChIKeyVAZHEOSBFXKFIE-UHFFFAOYSA-N
XLogP1.63
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
methyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate
CID 79868617
methyl 5-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]furan-2-carboxylate
CID 8689991
ethyl (3S)-1-[(5-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
CID 81338404
methyl 5-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methyl]furan-2-carboxylate
CID 90494265
methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 61204990
N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 63596528
methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate
CID 115905012
methyl (2R)-2-[1-[(5-bromofuran-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
CID 99833623
ethyl 5-[(3-aminopyrrolidin-1-yl)methyl]furan-2-carboxylate;dihydrochloride
CID 167768464
methyl 5-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]furan-2-carboxylate;oxalic acid
CID 71784907
methyl 5-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 95575195

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate (CID 63596044) is methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate is COC(=O)c1ccc(CN2CCC(C(C)N)CC2)o1.
What is the InChIKey of methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate?
The InChIKey is VAZHEOSBFXKFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(15)11-5-7-16(8-6-11)9-12-3-4-13(19-12)14(17)18-2/h3-4,10-11H,5-9,15H2,1-2H3.
What are the key properties of methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate?
methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 63596044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).