N-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine

C15H26N2O2 — CID 102968207

IUPACN-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1cc(CN2CCCC(OC)C2)c(C)o1
InChIInChI=1S/C15H26N2O2/c1-4-16-9-15-8-13(12(2)19-15)10-17-7-5-6-14(11-17)18-3/h8,14,16H,4-7,9-11H2,1-3H3
InChIKeyGGKYTNIPMZMHMI-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.31
Rot. Bonds6

About N-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine

N-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine (PubChem CID 102968207) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine
PubChem CID102968207
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1cc(CN2CCCC(OC)C2)c(C)o1
InChIInChI=1S/C15H26N2O2/c1-4-16-9-15-8-13(12(2)19-15)10-17-7-5-6-14(11-17)18-3/h8,14,16H,4-7,9-11H2,1-3H3
InChIKeyGGKYTNIPMZMHMI-UHFFFAOYSA-N
XLogP2.31
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62411545
N-[[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62427660
N-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62411045
4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-carboxylic acid
CID 102959563
N-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62432159
1-[4-[(4-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 62421339
N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 102967917
N-[[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55074153
N-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 102968090
N-[[5-methyl-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 63619652
N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 55073687
1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-methylfuran-2-yl]-N-methylmethanamine
CID 79946048

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine (CID 102968207) is N-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine is CCNCc1cc(CN2CCCC(OC)C2)c(C)o1.
What is the InChIKey of N-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine?
The InChIKey is GGKYTNIPMZMHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-16-9-15-8-13(12(2)19-15)10-17-7-5-6-14(11-17)18-3/h8,14,16H,4-7,9-11H2,1-3H3.
What are the key properties of N-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine?
N-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine has a molecular weight of 266.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 102968207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).