3-(but-2-enoxymethyl)piperidine

C10H19NO — CID 76940393

IUPAC3-(but-2-enoxymethyl)piperidine
SMILESCC=CCOCC1CCCNC1
InChIInChI=1S/C10H19NO/c1-2-3-7-12-9-10-5-4-6-11-8-10/h2-3,10-11H,4-9H2,1H3
InChIKeyZRUKUGZTACPNPB-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.58
Rot. Bonds4

About 3-(but-2-enoxymethyl)piperidine

3-(but-2-enoxymethyl)piperidine (PubChem CID 76940393) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(but-2-enoxymethyl)piperidine.

Molecular Properties

Compound Name3-(but-2-enoxymethyl)piperidine
PubChem CID76940393
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(but-2-enoxymethyl)piperidine
SMILESCC=CCOCC1CCCNC1
InChIInChI=1S/C10H19NO/c1-2-3-7-12-9-10-5-4-6-11-8-10/h2-3,10-11H,4-9H2,1H3
InChIKeyZRUKUGZTACPNPB-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(ethoxymethyl)piperidine
CID 42427178
(3S)-3-(ethoxymethyl)piperidine
CID 42427180
3-(ethoxymethyl)piperidine;hydrochloride
CID 17178071
3-(3-phenylprop-2-enoxymethyl)piperidine
CID 76940377
2-methyl-4-(piperidin-3-ylmethoxy)but-2-enoic acid
CID 83213207
(3R)-3-(3-methylbutoxymethyl)piperidine
CID 26190551
3-(cyclopropylmethoxymethoxymethyl)piperidine
CID 106937752
1-(piperidin-3-ylmethoxy)propan-2-ol
CID 106937756
3-(oxan-4-ylmethoxymethyl)piperidine
CID 62383187
3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine
CID 112587717
(3S)-3-(cyclobutylmethoxymethyl)pyrrolidine
CID 86321931
methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate
CID 169177589

Frequently Asked Questions

What is the IUPAC name of 3-(but-2-enoxymethyl)piperidine?
The IUPAC name of 3-(but-2-enoxymethyl)piperidine (CID 76940393) is 3-(but-2-enoxymethyl)piperidine.
What is the SMILES notation for 3-(but-2-enoxymethyl)piperidine?
The canonical SMILES for 3-(but-2-enoxymethyl)piperidine is CC=CCOCC1CCCNC1.
What is the InChIKey of 3-(but-2-enoxymethyl)piperidine?
The InChIKey is ZRUKUGZTACPNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-7-12-9-10-5-4-6-11-8-10/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 3-(but-2-enoxymethyl)piperidine?
3-(but-2-enoxymethyl)piperidine has a molecular weight of 169.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(but-2-enoxymethyl)piperidine is sourced from PubChem (CID 76940393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).