2-[2-(oxolan-3-ylidene)propyl]piperidine

C12H21NO — CID 104855404

IUPAC2-[2-(oxolan-3-ylidene)propyl]piperidine
SMILESCC(CC1CCCCN1)=C1CCOC1
InChIInChI=1S/C12H21NO/c1-10(11-5-7-14-9-11)8-12-4-2-3-6-13-12/h12-13H,2-9H2,1H3
InChIKeyMKZMWVGXMQSCBU-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.26
Rot. Bonds2

About 2-[2-(oxolan-3-ylidene)propyl]piperidine

2-[2-(oxolan-3-ylidene)propyl]piperidine (PubChem CID 104855404) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[2-(oxolan-3-ylidene)propyl]piperidine.

Molecular Properties

Compound Name2-[2-(oxolan-3-ylidene)propyl]piperidine
PubChem CID104855404
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-[2-(oxolan-3-ylidene)propyl]piperidine
SMILESCC(CC1CCCCN1)=C1CCOC1
InChIInChI=1S/C12H21NO/c1-10(11-5-7-14-9-11)8-12-4-2-3-6-13-12/h12-13H,2-9H2,1H3
InChIKeyMKZMWVGXMQSCBU-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.26
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

(1S,5R)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane
CID 118871700
(5S)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane
CID 118881760
3-(2-Methoxyethylidene)-8-azabicyclo[3.2.1]octane
CID 126845440
4-(Oxolan-3-ylidene)piperidine
CID 79879241
3-(Oxolan-3-ylidene)piperidine
CID 79880721
2-[(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-enyl]piperidine
CID 103143071
2-[2-Methyl-3-(oxolan-2-yl)prop-2-enyl]piperidine
CID 104855400
3-[2-(Oxolan-3-ylidene)propyl]morpholine
CID 104855445
2-(4-Methoxy-2,3-dimethylbut-2-enyl)piperidine
CID 104863212
2-(5-Methoxy-2,3-dimethylpent-2-enyl)piperidine
CID 104881766
2-[3-(5,5-Dimethyloxolan-2-yl)-2-methylprop-2-enyl]piperidine
CID 104889629
2-[2-(2,2,5,5-Tetramethyloxolan-3-ylidene)propyl]piperidine
CID 104940364

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-3-ylidene)propyl]piperidine?
The IUPAC name of 2-[2-(oxolan-3-ylidene)propyl]piperidine (CID 104855404) is 2-[2-(oxolan-3-ylidene)propyl]piperidine.
What is the SMILES notation for 2-[2-(oxolan-3-ylidene)propyl]piperidine?
The canonical SMILES for 2-[2-(oxolan-3-ylidene)propyl]piperidine is CC(CC1CCCCN1)=C1CCOC1.
What is the InChIKey of 2-[2-(oxolan-3-ylidene)propyl]piperidine?
The InChIKey is MKZMWVGXMQSCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(11-5-7-14-9-11)8-12-4-2-3-6-13-12/h12-13H,2-9H2,1H3.
What are the key properties of 2-[2-(oxolan-3-ylidene)propyl]piperidine?
2-[2-(oxolan-3-ylidene)propyl]piperidine has a molecular weight of 195.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-3-ylidene)propyl]piperidine is sourced from PubChem (CID 104855404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).