3-[4-(3-prop-2-ynoxyphenyl)piperidin-1-yl]propan-1-amine

C17H24N2O — CID 22911572

IUPAC3-[4-(3-prop-2-ynoxyphenyl)piperidin-1-yl]propan-1-amine
SMILESC#CCOc1cccc(C2CCN(CCCN)CC2)c1
InChIInChI=1S/C17H24N2O/c1-2-13-20-17-6-3-5-16(14-17)15-7-11-19(12-8-15)10-4-9-18/h1,3,5-6,14-15H,4,7-13,18H2
InChIKeyACPJQPXGTCEIPW-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.23
Rot. Bonds6

About 3-[4-(3-prop-2-ynoxyphenyl)piperidin-1-yl]propan-1-amine

3-[4-(3-prop-2-ynoxyphenyl)piperidin-1-yl]propan-1-amine (PubChem CID 22911572) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-[4-(3-prop-2-ynoxyphenyl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(3-prop-2-ynoxyphenyl)piperidin-1-yl]propan-1-amine
PubChem CID22911572
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-[4-(3-prop-2-ynoxyphenyl)piperidin-1-yl]propan-1-amine
SMILESC#CCOc1cccc(C2CCN(CCCN)CC2)c1
InChIInChI=1S/C17H24N2O/c1-2-13-20-17-6-3-5-16(14-17)15-7-11-19(12-8-15)10-4-9-18/h1,3,5-6,14-15H,4,7-13,18H2
InChIKeyACPJQPXGTCEIPW-UHFFFAOYSA-N
XLogP2.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-prop-2-ynoxyphenyl)piperidin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(3-prop-2-ynoxyphenyl)piperidin-1-yl]propan-1-amine (CID 22911572) is 3-[4-(3-prop-2-ynoxyphenyl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(3-prop-2-ynoxyphenyl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(3-prop-2-ynoxyphenyl)piperidin-1-yl]propan-1-amine is C#CCOc1cccc(C2CCN(CCCN)CC2)c1.
What is the InChIKey of 3-[4-(3-prop-2-ynoxyphenyl)piperidin-1-yl]propan-1-amine?
The InChIKey is ACPJQPXGTCEIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-13-20-17-6-3-5-16(14-17)15-7-11-19(12-8-15)10-4-9-18/h1,3,5-6,14-15H,4,7-13,18H2.
What are the key properties of 3-[4-(3-prop-2-ynoxyphenyl)piperidin-1-yl]propan-1-amine?
3-[4-(3-prop-2-ynoxyphenyl)piperidin-1-yl]propan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-prop-2-ynoxyphenyl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 22911572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).