2-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]piperidine

C15H27NO — CID 104889629

IUPAC2-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]piperidine
SMILESCC(=CC1CCC(C)(C)O1)CC1CCCCN1
InChIInChI=1S/C15H27NO/c1-12(10-13-6-4-5-9-16-13)11-14-7-8-15(2,3)17-14/h11,13-14,16H,4-10H2,1-3H3
InChIKeyPKVSPHHIAVWWQK-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.42
Rot. Bonds3

About 2-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]piperidine

2-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]piperidine (PubChem CID 104889629) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]piperidine.

Molecular Properties

Compound Name2-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]piperidine
PubChem CID104889629
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]piperidine
SMILESCC(=CC1CCC(C)(C)O1)CC1CCCCN1
InChIInChI=1S/C15H27NO/c1-12(10-13-6-4-5-9-16-13)11-14-7-8-15(2,3)17-14/h11,13-14,16H,4-10H2,1-3H3
InChIKeyPKVSPHHIAVWWQK-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.42
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

(4E)-3-ethyl-4-ethylidene-1-oxa-8-azaspiro[4.5]decane
CID 137428982
(7R)-4,7-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 172575137
2-(Cyclobuten-1-yl)-2-ethylmorpholine
CID 174588638
2-Butyl-2-(cyclobuten-1-yl)morpholine
CID 174588639
4-[(1S)-2-methylcyclopropyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 177955579
4,7-Dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 177956180
4-(Oxolan-2-ylmethylidene)piperidine
CID 79879663
(3E)-3-(oxolan-2-ylmethylidene)piperidine
CID 79880294
N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]cyclopropanamine
CID 82836811
(E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine
CID 82836927
(E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propan-2-ylprop-2-en-1-amine
CID 82837040
N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 82837153

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]piperidine?
The IUPAC name of 2-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]piperidine (CID 104889629) is 2-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]piperidine.
What is the SMILES notation for 2-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]piperidine?
The canonical SMILES for 2-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]piperidine is CC(=CC1CCC(C)(C)O1)CC1CCCCN1.
What is the InChIKey of 2-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]piperidine?
The InChIKey is PKVSPHHIAVWWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-12(10-13-6-4-5-9-16-13)11-14-7-8-15(2,3)17-14/h11,13-14,16H,4-10H2,1-3H3.
What are the key properties of 2-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]piperidine?
2-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]piperidine has a molecular weight of 237.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-enyl]piperidine is sourced from PubChem (CID 104889629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).