1-methyl-2-prop-2-ynylpiperidine

C9H15N — CID 86650157

IUPAC1-methyl-2-prop-2-ynylpiperidine
SMILESC#CCC1CCCCN1C
InChIInChI=1S/C9H15N/c1-3-6-9-7-4-5-8-10(9)2/h1,9H,4-8H2,2H3
InChIKeyPHIVNSVSEODOJD-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.49
Rot. Bonds1

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

1-methyl-2-prop-2-ynylpiperidine (PubChem CID 86650157) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-methyl-2-prop-2-ynylpiperidine.

Molecular Properties

Compound Name1-methyl-2-prop-2-ynylpiperidine
PubChem CID86650157
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-methyl-2-prop-2-ynylpiperidine
SMILESC#CCC1CCCCN1C
InChIInChI=1S/C9H15N/c1-3-6-9-7-4-5-8-10(9)2/h1,9H,4-8H2,2H3
InChIKeyPHIVNSVSEODOJD-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
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 1-methyl-2-prop-2-ynylpiperidine?
The IUPAC name of 1-methyl-2-prop-2-ynylpiperidine (CID 86650157) is 1-methyl-2-prop-2-ynylpiperidine.
What is the SMILES notation for 1-methyl-2-prop-2-ynylpiperidine?
The canonical SMILES for 1-methyl-2-prop-2-ynylpiperidine is C#CCC1CCCCN1C.
What is the InChIKey of 1-methyl-2-prop-2-ynylpiperidine?
The InChIKey is PHIVNSVSEODOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-6-9-7-4-5-8-10(9)2/h1,9H,4-8H2,2H3.
What are the key properties of 1-methyl-2-prop-2-ynylpiperidine?
1-methyl-2-prop-2-ynylpiperidine has a molecular weight of 137.23 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-prop-2-ynylpiperidine is sourced from PubChem (CID 86650157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).