2-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]acetaldehyde

C12H23NO — CID 87862361

IUPAC2-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]acetaldehyde
SMILESCC(C)CN1CCCCC1(C)CC=O
InChIInChI=1S/C12H23NO/c1-11(2)10-13-8-5-4-6-12(13,3)7-9-14/h9,11H,4-8,10H2,1-3H3
InChIKeyLMKDUFDRIMLRBY-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.48
Rot. Bonds4

About 2-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]acetaldehyde

2-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]acetaldehyde (PubChem CID 87862361) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]acetaldehyde
PubChem CID87862361
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]acetaldehyde
SMILESCC(C)CN1CCCCC1(C)CC=O
InChIInChI=1S/C12H23NO/c1-11(2)10-13-8-5-4-6-12(13,3)7-9-14/h9,11H,4-8,10H2,1-3H3
InChIKeyLMKDUFDRIMLRBY-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]acetaldehyde?
The IUPAC name of 2-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]acetaldehyde (CID 87862361) is 2-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]acetaldehyde.
What is the SMILES notation for 2-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]acetaldehyde?
The canonical SMILES for 2-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]acetaldehyde is CC(C)CN1CCCCC1(C)CC=O.
What is the InChIKey of 2-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]acetaldehyde?
The InChIKey is LMKDUFDRIMLRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)10-13-8-5-4-6-12(13,3)7-9-14/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 2-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]acetaldehyde?
2-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]acetaldehyde has a molecular weight of 197.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-(2-methylpropyl)piperidin-2-yl]acetaldehyde is sourced from PubChem (CID 87862361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).