4-propan-2-ylpiperidine-1-carbaldehyde

C9H17NO — CID 45083861

IUPAC4-propan-2-ylpiperidine-1-carbaldehyde
SMILESCC(C)C1CCN(C=O)CC1
InChIInChI=1S/C9H17NO/c1-8(2)9-3-5-10(7-11)6-4-9/h7-9H,3-6H2,1-2H3
InChIKeyRXKOCLOIEAVBGV-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.51
Rot. Bonds2

About 4-propan-2-ylpiperidine-1-carbaldehyde

4-propan-2-ylpiperidine-1-carbaldehyde (PubChem CID 45083861) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-propan-2-ylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-propan-2-ylpiperidine-1-carbaldehyde
PubChem CID45083861
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-propan-2-ylpiperidine-1-carbaldehyde
SMILESCC(C)C1CCN(C=O)CC1
InChIInChI=1S/C9H17NO/c1-8(2)9-3-5-10(7-11)6-4-9/h7-9H,3-6H2,1-2H3
InChIKeyRXKOCLOIEAVBGV-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-ylazepane-1-carbaldehyde
CID 64991796
3-butan-2-ylpyrrolidine-1-carbaldehyde
CID 143846551
3-methyl-6-propan-2-ylazepane-1-carbaldehyde
CID 174874844
4-(dimethylamino)piperidine-1-carbaldehyde
CID 54343500
6-propan-2-yl-2-azaspiro[3.3]heptane-2-carbaldehyde
CID 166968893
4-methylsulfanylpiperidine-1-carbaldehyde
CID 87835944
4-[methyl(2-propan-2-yloxyethyl)amino]piperidine-1-carbaldehyde
CID 167520958
(Z)-3-chloro-1-(4-methylpiperazin-1-yl)prop-2-en-1-one;3-propan-2-ylpyrrolidine-1-carbaldehyde
CID 178147981
4-pentylpiperidine-1-carbaldehyde
CID 13418208
4-[(2R)-butan-2-yl]piperazine-1-carbaldehyde
CID 89260021
1,4-di(propan-2-yl)piperidine
CID 21303253
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylpiperidine-1-carbaldehyde?
The IUPAC name of 4-propan-2-ylpiperidine-1-carbaldehyde (CID 45083861) is 4-propan-2-ylpiperidine-1-carbaldehyde.
What is the SMILES notation for 4-propan-2-ylpiperidine-1-carbaldehyde?
The canonical SMILES for 4-propan-2-ylpiperidine-1-carbaldehyde is CC(C)C1CCN(C=O)CC1.
What is the InChIKey of 4-propan-2-ylpiperidine-1-carbaldehyde?
The InChIKey is RXKOCLOIEAVBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)9-3-5-10(7-11)6-4-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-ylpiperidine-1-carbaldehyde?
4-propan-2-ylpiperidine-1-carbaldehyde has a molecular weight of 155.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylpiperidine-1-carbaldehyde is sourced from PubChem (CID 45083861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).