N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]propan-1-amine

C16H23N3O — CID 106535576

IUPACN-[(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]propan-1-amine
SMILESCCCNCC1CCN(c2nccc3occc23)CC1
InChIInChI=1S/C16H23N3O/c1-2-7-17-12-13-4-9-19(10-5-13)16-14-6-11-20-15(14)3-8-18-16/h3,6,8,11,13,17H,2,4-5,7,9-10,12H2,1H3
InChIKeyWKVQHJKMXDKJRO-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.04
Rot. Bonds5

About N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]propan-1-amine

N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]propan-1-amine (PubChem CID 106535576) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]propan-1-amine
PubChem CID106535576
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]propan-1-amine
SMILESCCCNCC1CCN(c2nccc3occc23)CC1
InChIInChI=1S/C16H23N3O/c1-2-7-17-12-13-4-9-19(10-5-13)16-14-6-11-20-15(14)3-8-18-16/h3,6,8,11,13,17H,2,4-5,7,9-10,12H2,1H3
InChIKeyWKVQHJKMXDKJRO-UHFFFAOYSA-N
XLogP3.04
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.04
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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Frequently Asked Questions

What is the IUPAC name of N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]propan-1-amine (CID 106535576) is N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]propan-1-amine is CCCNCC1CCN(c2nccc3occc23)CC1.
What is the InChIKey of N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]propan-1-amine?
The InChIKey is WKVQHJKMXDKJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-7-17-12-13-4-9-19(10-5-13)16-14-6-11-20-15(14)3-8-18-16/h3,6,8,11,13,17H,2,4-5,7,9-10,12H2,1H3.
What are the key properties of N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]propan-1-amine?
N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 106535576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).