3-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-1-amine

C16H25N3O — CID 98019621

IUPAC3-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(c2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C16H25N3O/c17-6-2-7-18-8-10-19(11-9-18)15-4-5-16-14(13-15)3-1-12-20-16/h4-5,13H,1-3,6-12,17H2
InChIKeyPOUFVDVSFFITKN-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.48
Rot. Bonds4

About 3-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-1-amine

3-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-1-amine (PubChem CID 98019621) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-1-amine
PubChem CID98019621
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(c2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C16H25N3O/c17-6-2-7-18-8-10-19(11-9-18)15-4-5-16-14(13-15)3-1-12-20-16/h4-5,13H,1-3,6-12,17H2
InChIKeyPOUFVDVSFFITKN-UHFFFAOYSA-N
XLogP1.48
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-1-amine (CID 98019621) is 3-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-1-amine is NCCCN1CCN(c2ccc3c(c2)CCCO3)CC1.
What is the InChIKey of 3-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-1-amine?
The InChIKey is POUFVDVSFFITKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-6-2-7-18-8-10-19(11-9-18)15-4-5-16-14(13-15)3-1-12-20-16/h4-5,13H,1-3,6-12,17H2.
What are the key properties of 3-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-1-amine?
3-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 98019621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).