1,2-dimethyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine

C15H27N3 — CID 81343454

IUPAC1,2-dimethyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine
SMILESC#CCN1CCC(NC2CCN(C)C(C)C2)CC1
InChIInChI=1S/C15H27N3/c1-4-8-18-10-6-14(7-11-18)16-15-5-9-17(3)13(2)12-15/h1,13-16H,5-12H2,2-3H3
InChIKeyAQVPHWRJEXXCDX-UHFFFAOYSA-N
MW249.40 g/mol
LogP1.16
Rot. Bonds3

About 1,2-dimethyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine

1,2-dimethyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine (PubChem CID 81343454) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1,2-dimethyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1,2-dimethyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine
PubChem CID81343454
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1,2-dimethyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine
SMILESC#CCN1CCC(NC2CCN(C)C(C)C2)CC1
InChIInChI=1S/C15H27N3/c1-4-8-18-10-6-14(7-11-18)16-15-5-9-17(3)13(2)12-15/h1,13-16H,5-12H2,2-3H3
InChIKeyAQVPHWRJEXXCDX-UHFFFAOYSA-N
XLogP1.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 51.16
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 1,2-dimethyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine?
The IUPAC name of 1,2-dimethyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine (CID 81343454) is 1,2-dimethyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine.
What is the SMILES notation for 1,2-dimethyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine?
The canonical SMILES for 1,2-dimethyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine is C#CCN1CCC(NC2CCN(C)C(C)C2)CC1.
What is the InChIKey of 1,2-dimethyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine?
The InChIKey is AQVPHWRJEXXCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-8-18-10-6-14(7-11-18)16-15-5-9-17(3)13(2)12-15/h1,13-16H,5-12H2,2-3H3.
What are the key properties of 1,2-dimethyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine?
1,2-dimethyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine has a molecular weight of 249.40 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 81343454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).