4-methyl-1-prop-2-ynylpiperidine

C9H15N — CID 11355509

IUPAC4-methyl-1-prop-2-ynylpiperidine
SMILESC#CCN1CCC(C)CC1
InChIInChI=1S/C9H15N/c1-3-6-10-7-4-9(2)5-8-10/h1,9H,4-8H2,2H3
InChIKeyDKCIBPHGBBYNBA-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.35
Rot. Bonds1

About 4-methyl-1-prop-2-ynylpiperidine

4-methyl-1-prop-2-ynylpiperidine (PubChem CID 11355509) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4-methyl-1-prop-2-ynylpiperidine.

Molecular Properties

Compound Name4-methyl-1-prop-2-ynylpiperidine
PubChem CID11355509
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4-methyl-1-prop-2-ynylpiperidine
SMILESC#CCN1CCC(C)CC1
InChIInChI=1S/C9H15N/c1-3-6-10-7-4-9(2)5-8-10/h1,9H,4-8H2,2H3
InChIKeyDKCIBPHGBBYNBA-UHFFFAOYSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-methyl-1-prop-2-ynylpiperidine?
The IUPAC name of 4-methyl-1-prop-2-ynylpiperidine (CID 11355509) is 4-methyl-1-prop-2-ynylpiperidine.
What is the SMILES notation for 4-methyl-1-prop-2-ynylpiperidine?
The canonical SMILES for 4-methyl-1-prop-2-ynylpiperidine is C#CCN1CCC(C)CC1.
What is the InChIKey of 4-methyl-1-prop-2-ynylpiperidine?
The InChIKey is DKCIBPHGBBYNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-6-10-7-4-9(2)5-8-10/h1,9H,4-8H2,2H3.
What are the key properties of 4-methyl-1-prop-2-ynylpiperidine?
4-methyl-1-prop-2-ynylpiperidine has a molecular weight of 137.23 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-prop-2-ynylpiperidine is sourced from PubChem (CID 11355509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).