1-methyl-2-pent-2-enylpiperidine

C11H21N — CID 175484811

IUPAC1-methyl-2-pent-2-enylpiperidine
SMILESCCC=CCC1CCCCN1C
InChIInChI=1S/C11H21N/c1-3-4-5-8-11-9-6-7-10-12(11)2/h4-5,11H,3,6-10H2,1-2H3
InChIKeyPXXRSQGHLZGUKA-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.83
Rot. Bonds3

About 1-methyl-2-pent-2-enylpiperidine

1-methyl-2-pent-2-enylpiperidine (PubChem CID 175484811) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-methyl-2-pent-2-enylpiperidine.

Molecular Properties

Compound Name1-methyl-2-pent-2-enylpiperidine
PubChem CID175484811
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-methyl-2-pent-2-enylpiperidine
SMILESCCC=CCC1CCCCN1C
InChIInChI=1S/C11H21N/c1-3-4-5-8-11-9-6-7-10-12(11)2/h4-5,11H,3,6-10H2,1-2H3
InChIKeyPXXRSQGHLZGUKA-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(Z)-5-(1-methylpiperidin-2-yl)pent-3-en-1-ol
CID 117267735
(Z)-3-(1-methylpiperidin-2-yl)prop-1-ene-1-sulfonyl chloride
CID 117265916
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
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1-methyl-2-(2-methylpropyl)azepane
CID 130636029
5-ethyl-4-methyl-4-azabicyclo[10.3.1]hexadecane
CID 170112638
3-methyl-1-(1-methylpiperidin-2-yl)butan-2-amine
CID 83982236
2-(chloromethyl)-1-methylpiperidine;hydrochloride
CID 12644392
(2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine
CID 58874495
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pent-2-enylpiperidine?
The IUPAC name of 1-methyl-2-pent-2-enylpiperidine (CID 175484811) is 1-methyl-2-pent-2-enylpiperidine.
What is the SMILES notation for 1-methyl-2-pent-2-enylpiperidine?
The canonical SMILES for 1-methyl-2-pent-2-enylpiperidine is CCC=CCC1CCCCN1C.
What is the InChIKey of 1-methyl-2-pent-2-enylpiperidine?
The InChIKey is PXXRSQGHLZGUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-4-5-8-11-9-6-7-10-12(11)2/h4-5,11H,3,6-10H2,1-2H3.
What are the key properties of 1-methyl-2-pent-2-enylpiperidine?
1-methyl-2-pent-2-enylpiperidine has a molecular weight of 167.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pent-2-enylpiperidine is sourced from PubChem (CID 175484811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).