N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine

C12H18N2 — CID 115896868

IUPACN-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCC#CC)CC1
InChIInChI=1S/C12H18N2/c1-3-5-8-13-12-6-10-14(9-4-2)11-7-12/h2,12-13H,6-11H2,1H3
InChIKeyVLAATAOZIQMJHS-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.70
Rot. Bonds3

About N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine

N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine (PubChem CID 115896868) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine
PubChem CID115896868
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCC#CC)CC1
InChIInChI=1S/C12H18N2/c1-3-5-8-13-12-6-10-14(9-4-2)11-7-12/h2,12-13H,6-11H2,1H3
InChIKeyVLAATAOZIQMJHS-UHFFFAOYSA-N
XLogP0.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine (CID 115896868) is N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(NCC#CC)CC1.
What is the InChIKey of N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is VLAATAOZIQMJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-5-8-13-12-6-10-14(9-4-2)11-7-12/h2,12-13H,6-11H2,1H3.
What are the key properties of N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine?
N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 190.29 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 115896868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).