[1-[1-[4-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine

C20H27N3O — CID 45231238

IUPAC[1-[1-[4-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(C2CCN(c3ccc(-c4ccco4)cc3)CC2)C1
InChIInChI=1S/C20H27N3O/c21-14-16-7-10-23(15-16)19-8-11-22(12-9-19)18-5-3-17(4-6-18)20-2-1-13-24-20/h1-6,13,16,19H,7-12,14-15,21H2
InChIKeyQBYGIQHUJDCEQF-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.20
Rot. Bonds4

About [1-[1-[4-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine

[1-[1-[4-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine (PubChem CID 45231238) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is [1-[1-[4-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[1-[4-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine
PubChem CID45231238
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name[1-[1-[4-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(C2CCN(c3ccc(-c4ccco4)cc3)CC2)C1
InChIInChI=1S/C20H27N3O/c21-14-16-7-10-23(15-16)19-8-11-22(12-9-19)18-5-3-17(4-6-18)20-2-1-13-24-20/h1-6,13,16,19H,7-12,14-15,21H2
InChIKeyQBYGIQHUJDCEQF-UHFFFAOYSA-N
XLogP3.20
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[4-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[1-[4-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine (CID 45231238) is [1-[1-[4-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[1-[4-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[1-[4-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine is NCC1CCN(C2CCN(c3ccc(-c4ccco4)cc3)CC2)C1.
What is the InChIKey of [1-[1-[4-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine?
The InChIKey is QBYGIQHUJDCEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c21-14-16-7-10-23(15-16)19-8-11-22(12-9-19)18-5-3-17(4-6-18)20-2-1-13-24-20/h1-6,13,16,19H,7-12,14-15,21H2.
What are the key properties of [1-[1-[4-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine?
[1-[1-[4-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine has a molecular weight of 325.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[4-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 45231238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).