(3S)-3-(3-methylbut-2-enoxymethyl)piperidine

C11H21NO — CID 26190542

IUPAC(3S)-3-(3-methylbut-2-enoxymethyl)piperidine
SMILESCC(C)=CCOC[C@H]1CCCNC1
InChIInChI=1S/C11H21NO/c1-10(2)5-7-13-9-11-4-3-6-12-8-11/h5,11-12H,3-4,6-9H2,1-2H3/t11-/m0/s1
InChIKeyQVQGPOULROKLFZ-NSHDSACASA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds4

About (3S)-3-(3-methylbut-2-enoxymethyl)piperidine

(3S)-3-(3-methylbut-2-enoxymethyl)piperidine (PubChem CID 26190542) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (3S)-3-(3-methylbut-2-enoxymethyl)piperidine.

Molecular Properties

Compound Name(3S)-3-(3-methylbut-2-enoxymethyl)piperidine
PubChem CID26190542
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(3S)-3-(3-methylbut-2-enoxymethyl)piperidine
SMILESCC(C)=CCOC[C@H]1CCCNC1
InChIInChI=1S/C11H21NO/c1-10(2)5-7-13-9-11-4-3-6-12-8-11/h5,11-12H,3-4,6-9H2,1-2H3/t11-/m0/s1
InChIKeyQVQGPOULROKLFZ-NSHDSACASA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
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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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methylbut-2-enoxymethyl)piperidine?
The IUPAC name of (3S)-3-(3-methylbut-2-enoxymethyl)piperidine (CID 26190542) is (3S)-3-(3-methylbut-2-enoxymethyl)piperidine.
What is the SMILES notation for (3S)-3-(3-methylbut-2-enoxymethyl)piperidine?
The canonical SMILES for (3S)-3-(3-methylbut-2-enoxymethyl)piperidine is CC(C)=CCOC[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-(3-methylbut-2-enoxymethyl)piperidine?
The InChIKey is QVQGPOULROKLFZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)5-7-13-9-11-4-3-6-12-8-11/h5,11-12H,3-4,6-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-3-(3-methylbut-2-enoxymethyl)piperidine?
(3S)-3-(3-methylbut-2-enoxymethyl)piperidine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methylbut-2-enoxymethyl)piperidine is sourced from PubChem (CID 26190542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).