(3R)-3-(3-methylbut-2-enoxy)piperidine

C10H19NO — CID 26191203

IUPAC(3R)-3-(3-methylbut-2-enoxy)piperidine
SMILESCC(C)=CCO[C@@H]1CCCNC1
InChIInChI=1S/C10H19NO/c1-9(2)5-7-12-10-4-3-6-11-8-10/h5,10-11H,3-4,6-8H2,1-2H3/t10-/m1/s1
InChIKeyXAYMLCHNVLMGEQ-SNVBAGLBSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds3

About (3R)-3-(3-methylbut-2-enoxy)piperidine

(3R)-3-(3-methylbut-2-enoxy)piperidine (PubChem CID 26191203) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3R)-3-(3-methylbut-2-enoxy)piperidine.

Molecular Properties

Compound Name(3R)-3-(3-methylbut-2-enoxy)piperidine
PubChem CID26191203
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3R)-3-(3-methylbut-2-enoxy)piperidine
SMILESCC(C)=CCO[C@@H]1CCCNC1
InChIInChI=1S/C10H19NO/c1-9(2)5-7-12-10-4-3-6-11-8-10/h5,10-11H,3-4,6-8H2,1-2H3/t10-/m1/s1
InChIKeyXAYMLCHNVLMGEQ-SNVBAGLBSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-prop-2-enoxypiperidine
CID 26191208
(3S)-3-prop-2-enoxypiperidine
CID 26191211
3-(Allyloxy)piperidine
CID 45075369
3-(Allyloxy)piperidine hydrochloride
CID 46735649
2-(3-Methylbut-1-en-2-yl)morpholine
CID 58309890
2-[(E)-hept-3-en-4-yl]morpholine
CID 68588038
2-Hept-3-en-4-ylmorpholine
CID 68588043
2-[(E)-pent-2-en-2-yl]morpholine
CID 68590208
2-Pent-2-en-2-ylmorpholine
CID 68590213
2-Pent-1-en-2-ylmorpholine
CID 68590326
2-But-1-en-2-ylmorpholine
CID 68590431
2-[(E)-hex-3-en-3-yl]morpholine
CID 68590550

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methylbut-2-enoxy)piperidine?
The IUPAC name of (3R)-3-(3-methylbut-2-enoxy)piperidine (CID 26191203) is (3R)-3-(3-methylbut-2-enoxy)piperidine.
What is the SMILES notation for (3R)-3-(3-methylbut-2-enoxy)piperidine?
The canonical SMILES for (3R)-3-(3-methylbut-2-enoxy)piperidine is CC(C)=CCO[C@@H]1CCCNC1.
What is the InChIKey of (3R)-3-(3-methylbut-2-enoxy)piperidine?
The InChIKey is XAYMLCHNVLMGEQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)5-7-12-10-4-3-6-11-8-10/h5,10-11H,3-4,6-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-(3-methylbut-2-enoxy)piperidine?
(3R)-3-(3-methylbut-2-enoxy)piperidine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methylbut-2-enoxy)piperidine is sourced from PubChem (CID 26191203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).