1-[1-[1-(furan-2-yl)propan-2-yl]piperidin-4-yl]-N-methylmethanamine

C14H24N2O — CID 63250602

IUPAC1-[1-[1-(furan-2-yl)propan-2-yl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(C(C)Cc2ccco2)CC1
InChIInChI=1S/C14H24N2O/c1-12(10-14-4-3-9-17-14)16-7-5-13(6-8-16)11-15-2/h3-4,9,12-13,15H,5-8,10-11H2,1-2H3
InChIKeyCKBRGHRECWPHBZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.14
Rot. Bonds5

About 1-[1-[1-(furan-2-yl)propan-2-yl]piperidin-4-yl]-N-methylmethanamine

1-[1-[1-(furan-2-yl)propan-2-yl]piperidin-4-yl]-N-methylmethanamine (PubChem CID 63250602) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[1-[1-(furan-2-yl)propan-2-yl]piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[1-(furan-2-yl)propan-2-yl]piperidin-4-yl]-N-methylmethanamine
PubChem CID63250602
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[1-[1-(furan-2-yl)propan-2-yl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(C(C)Cc2ccco2)CC1
InChIInChI=1S/C14H24N2O/c1-12(10-14-4-3-9-17-14)16-7-5-13(6-8-16)11-15-2/h3-4,9,12-13,15H,5-8,10-11H2,1-2H3
InChIKeyCKBRGHRECWPHBZ-UHFFFAOYSA-N
XLogP2.14
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(furan-2-yl)propan-2-yl]piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[1-(furan-2-yl)propan-2-yl]piperidin-4-yl]-N-methylmethanamine (CID 63250602) is 1-[1-[1-(furan-2-yl)propan-2-yl]piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[1-(furan-2-yl)propan-2-yl]piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[1-(furan-2-yl)propan-2-yl]piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(C(C)Cc2ccco2)CC1.
What is the InChIKey of 1-[1-[1-(furan-2-yl)propan-2-yl]piperidin-4-yl]-N-methylmethanamine?
The InChIKey is CKBRGHRECWPHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12(10-14-4-3-9-17-14)16-7-5-13(6-8-16)11-15-2/h3-4,9,12-13,15H,5-8,10-11H2,1-2H3.
What are the key properties of 1-[1-[1-(furan-2-yl)propan-2-yl]piperidin-4-yl]-N-methylmethanamine?
1-[1-[1-(furan-2-yl)propan-2-yl]piperidin-4-yl]-N-methylmethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(furan-2-yl)propan-2-yl]piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 63250602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).