1-(3-methylbut-3-enyl)piperidine-2-carbaldehyde

C11H19NO — CID 114476661

IUPAC1-(3-methylbut-3-enyl)piperidine-2-carbaldehyde
SMILESC=C(C)CCN1CCCCC1C=O
InChIInChI=1S/C11H19NO/c1-10(2)6-8-12-7-4-3-5-11(12)9-13/h9,11H,1,3-8H2,2H3
InChIKeyPDPINBBWHLISNZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.01
Rot. Bonds4

About 1-(3-methylbut-3-enyl)piperidine-2-carbaldehyde

1-(3-methylbut-3-enyl)piperidine-2-carbaldehyde (PubChem CID 114476661) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(3-methylbut-3-enyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(3-methylbut-3-enyl)piperidine-2-carbaldehyde
PubChem CID114476661
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(3-methylbut-3-enyl)piperidine-2-carbaldehyde
SMILESC=C(C)CCN1CCCCC1C=O
InChIInChI=1S/C11H19NO/c1-10(2)6-8-12-7-4-3-5-11(12)9-13/h9,11H,1,3-8H2,2H3
InChIKeyPDPINBBWHLISNZ-UHFFFAOYSA-N
XLogP2.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(2-formylpiperidin-1-yl)propanamide
CID 62654057
2-[1-(3-methylbut-3-enyl)piperidin-2-yl]ethanol
CID 114448957
1-hexylpiperidine-2-carbaldehyde
CID 62655866
1-heptylpiperidine-2-carbaldehyde
CID 62655864
1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde
CID 102567892
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde
CID 104566931
2-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 114472642
2-ethenyl-1-propylpiperidine
CID 13181247
1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde
CID 62654051
N-ethyl-2-(2-formylpiperidin-1-yl)acetamide
CID 62655143
7-(3-methylbut-3-enyl)-7-azabicyclo[4.2.0]octane
CID 130628784
N-(2-chlorophenyl)-3-(2-formylpiperidin-1-yl)propanamide
CID 62654443

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-3-enyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(3-methylbut-3-enyl)piperidine-2-carbaldehyde (CID 114476661) is 1-(3-methylbut-3-enyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(3-methylbut-3-enyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(3-methylbut-3-enyl)piperidine-2-carbaldehyde is C=C(C)CCN1CCCCC1C=O.
What is the InChIKey of 1-(3-methylbut-3-enyl)piperidine-2-carbaldehyde?
The InChIKey is PDPINBBWHLISNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2)6-8-12-7-4-3-5-11(12)9-13/h9,11H,1,3-8H2,2H3.
What are the key properties of 1-(3-methylbut-3-enyl)piperidine-2-carbaldehyde?
1-(3-methylbut-3-enyl)piperidine-2-carbaldehyde has a molecular weight of 181.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-3-enyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 114476661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).