(3R)-3-(2-methylprop-2-enoxymethyl)piperidine

C10H19NO — CID 26190613

IUPAC(3R)-3-(2-methylprop-2-enoxymethyl)piperidine
SMILESC=C(C)COC[C@@H]1CCCNC1
InChIInChI=1S/C10H19NO/c1-9(2)7-12-8-10-4-3-5-11-6-10/h10-11H,1,3-8H2,2H3/t10-/m1/s1
InChIKeyXFZJKRHLUGWLEW-SNVBAGLBSA-N
MW169.27 g/mol
LogP1.58
Rot. Bonds4

About (3R)-3-(2-methylprop-2-enoxymethyl)piperidine

(3R)-3-(2-methylprop-2-enoxymethyl)piperidine (PubChem CID 26190613) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3R)-3-(2-methylprop-2-enoxymethyl)piperidine.

Molecular Properties

Compound Name(3R)-3-(2-methylprop-2-enoxymethyl)piperidine
PubChem CID26190613
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3R)-3-(2-methylprop-2-enoxymethyl)piperidine
SMILESC=C(C)COC[C@@H]1CCCNC1
InChIInChI=1S/C10H19NO/c1-9(2)7-12-8-10-4-3-5-11-6-10/h10-11H,1,3-8H2,2H3/t10-/m1/s1
InChIKeyXFZJKRHLUGWLEW-SNVBAGLBSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Fluoro-4-(3-methoxyprop-1-en-2-yl)-3-methylpiperidine
CID 127009376
3-(Ethoxymethyl)piperidine
CID 17178072
(3R)-3-(prop-2-enoxymethyl)piperidine
CID 26190545
(3S)-3-(prop-2-enoxymethyl)piperidine
CID 26190548
(3S)-3-(butoxymethyl)piperidine
CID 26190559
(3R)-3-(ethoxymethyl)piperidine
CID 42427178
(3S)-3-(ethoxymethyl)piperidine
CID 42427180
3-(Allyloxymethyl)piperidine
CID 45075300
3-{[(3-Methyl-2-butenyl)oxy]methyl}piperidine hydrochloride
CID 46735610
3-(Propoxymethyl)piperidine
CID 54135236
3-[(Allyloxy)methyl]piperidine hydrochloride
CID 66523886
(3S)-3-(prop-2-enoxymethyl)piperidine;hydrochloride
CID 69040047

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methylprop-2-enoxymethyl)piperidine?
The IUPAC name of (3R)-3-(2-methylprop-2-enoxymethyl)piperidine (CID 26190613) is (3R)-3-(2-methylprop-2-enoxymethyl)piperidine.
What is the SMILES notation for (3R)-3-(2-methylprop-2-enoxymethyl)piperidine?
The canonical SMILES for (3R)-3-(2-methylprop-2-enoxymethyl)piperidine is C=C(C)COC[C@@H]1CCCNC1.
What is the InChIKey of (3R)-3-(2-methylprop-2-enoxymethyl)piperidine?
The InChIKey is XFZJKRHLUGWLEW-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)7-12-8-10-4-3-5-11-6-10/h10-11H,1,3-8H2,2H3/t10-/m1/s1.
What are the key properties of (3R)-3-(2-methylprop-2-enoxymethyl)piperidine?
(3R)-3-(2-methylprop-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 (3R)-3-(2-methylprop-2-enoxymethyl)piperidine is sourced from PubChem (CID 26190613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).