4-methoxy-1-pent-4-ynylpiperidine

C11H19NO — CID 115872590

IUPAC4-methoxy-1-pent-4-ynylpiperidine
SMILESC#CCCCN1CCC(OC)CC1
InChIInChI=1S/C11H19NO/c1-3-4-5-8-12-9-6-11(13-2)7-10-12/h1,11H,4-10H2,2H3
InChIKeyNGDZQEHJFBDZDX-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.51
Rot. Bonds4

About 4-methoxy-1-pent-4-ynylpiperidine

4-methoxy-1-pent-4-ynylpiperidine (PubChem CID 115872590) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-methoxy-1-pent-4-ynylpiperidine.

Molecular Properties

Compound Name4-methoxy-1-pent-4-ynylpiperidine
PubChem CID115872590
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-methoxy-1-pent-4-ynylpiperidine
SMILESC#CCCCN1CCC(OC)CC1
InChIInChI=1S/C11H19NO/c1-3-4-5-8-12-9-6-11(13-2)7-10-12/h1,11H,4-10H2,2H3
InChIKeyNGDZQEHJFBDZDX-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-Tert-butoxy-2-hexyn-1-yl)piperidine
CID 2839814
1-(3-Fluoropropyl)-4-methoxypiperidine
CID 90227696
1-(2-Fluoroethyl)-4-methoxypiperidine
CID 90431818
1-Ethyl-3-fluoro-4-methoxypiperidine
CID 117787783
(1-Propylpiperidin-4-yl) hypofluorite
CID 155585018
(3R,4S)-3-fluoro-4-pent-2-ynoxy-1-propylpiperidine
CID 163400268
(3S,4R)-1-ethyl-3-fluoro-4-methoxypiperidine
CID 166964210
3-Fluoro-4-(4-methylpent-2-ynoxy)-1-propylpiperidine
CID 167107387
(3R,4S)-3-fluoro-4-(4-methylpent-2-ynoxy)-1-(2-methylpropyl)piperidine
CID 168079837
(3S,4R)-3-fluoro-4-(4-methylpent-2-ynoxy)-1-(2-methylpropyl)piperidine
CID 168079843
(3S,4R)-1-ethyl-3-fluoro-4-(4-methylpent-2-ynoxy)piperidine
CID 169213752
3-Fluoro-4-pent-2-ynoxy-1-propylpiperidine
CID 169214716

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-pent-4-ynylpiperidine?
The IUPAC name of 4-methoxy-1-pent-4-ynylpiperidine (CID 115872590) is 4-methoxy-1-pent-4-ynylpiperidine.
What is the SMILES notation for 4-methoxy-1-pent-4-ynylpiperidine?
The canonical SMILES for 4-methoxy-1-pent-4-ynylpiperidine is C#CCCCN1CCC(OC)CC1.
What is the InChIKey of 4-methoxy-1-pent-4-ynylpiperidine?
The InChIKey is NGDZQEHJFBDZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-4-5-8-12-9-6-11(13-2)7-10-12/h1,11H,4-10H2,2H3.
What are the key properties of 4-methoxy-1-pent-4-ynylpiperidine?
4-methoxy-1-pent-4-ynylpiperidine has a molecular weight of 181.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-pent-4-ynylpiperidine is sourced from PubChem (CID 115872590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).