4-(1-methoxy-2-methylpropan-2-yl)-1-prop-2-ynylpiperidine

C13H23NO — CID 13478152

IUPAC4-(1-methoxy-2-methylpropan-2-yl)-1-prop-2-ynylpiperidine
SMILESC#CCN1CCC(C(C)(C)COC)CC1
InChIInChI=1S/C13H23NO/c1-5-8-14-9-6-12(7-10-14)13(2,3)11-15-4/h1,12H,6-11H2,2-4H3
InChIKeyBCLSNCGBHPIGRS-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.00
Rot. Bonds4

About 4-(1-methoxy-2-methylpropan-2-yl)-1-prop-2-ynylpiperidine

4-(1-methoxy-2-methylpropan-2-yl)-1-prop-2-ynylpiperidine (PubChem CID 13478152) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-(1-methoxy-2-methylpropan-2-yl)-1-prop-2-ynylpiperidine.

Molecular Properties

Compound Name4-(1-methoxy-2-methylpropan-2-yl)-1-prop-2-ynylpiperidine
PubChem CID13478152
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-(1-methoxy-2-methylpropan-2-yl)-1-prop-2-ynylpiperidine
SMILESC#CCN1CCC(C(C)(C)COC)CC1
InChIInChI=1S/C13H23NO/c1-5-8-14-9-6-12(7-10-14)13(2,3)11-15-4/h1,12H,6-11H2,2-4H3
InChIKeyBCLSNCGBHPIGRS-UHFFFAOYSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
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 4-(1-methoxy-2-methylpropan-2-yl)-1-prop-2-ynylpiperidine?
The IUPAC name of 4-(1-methoxy-2-methylpropan-2-yl)-1-prop-2-ynylpiperidine (CID 13478152) is 4-(1-methoxy-2-methylpropan-2-yl)-1-prop-2-ynylpiperidine.
What is the SMILES notation for 4-(1-methoxy-2-methylpropan-2-yl)-1-prop-2-ynylpiperidine?
The canonical SMILES for 4-(1-methoxy-2-methylpropan-2-yl)-1-prop-2-ynylpiperidine is C#CCN1CCC(C(C)(C)COC)CC1.
What is the InChIKey of 4-(1-methoxy-2-methylpropan-2-yl)-1-prop-2-ynylpiperidine?
The InChIKey is BCLSNCGBHPIGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-8-14-9-6-12(7-10-14)13(2,3)11-15-4/h1,12H,6-11H2,2-4H3.
What are the key properties of 4-(1-methoxy-2-methylpropan-2-yl)-1-prop-2-ynylpiperidine?
4-(1-methoxy-2-methylpropan-2-yl)-1-prop-2-ynylpiperidine has a molecular weight of 209.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxy-2-methylpropan-2-yl)-1-prop-2-ynylpiperidine is sourced from PubChem (CID 13478152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).