4-methyl-5-piperidin-1-ylpentanal

C11H21NO — CID 142529558

IUPAC4-methyl-5-piperidin-1-ylpentanal
SMILESCC(CCC=O)CN1CCCCC1
InChIInChI=1S/C11H21NO/c1-11(6-5-9-13)10-12-7-3-2-4-8-12/h9,11H,2-8,10H2,1H3
InChIKeyJOWLENQFIUSGPT-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.09
Rot. Bonds5

About 4-methyl-5-piperidin-1-ylpentanal

4-methyl-5-piperidin-1-ylpentanal (PubChem CID 142529558) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-methyl-5-piperidin-1-ylpentanal.

Molecular Properties

Compound Name4-methyl-5-piperidin-1-ylpentanal
PubChem CID142529558
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-methyl-5-piperidin-1-ylpentanal
SMILESCC(CCC=O)CN1CCCCC1
InChIInChI=1S/C11H21NO/c1-11(6-5-9-13)10-12-7-3-2-4-8-12/h9,11H,2-8,10H2,1H3
InChIKeyJOWLENQFIUSGPT-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-3-piperidin-1-ylpropyl)formamide
CID 64992840
N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide
CID 64992591
1-(3-bromo-2-methylpropyl)piperidine;hydrobromide
CID 139026359
N-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine
CID 171788339
5-methyl-N-(1-piperidin-1-ylpropan-2-yl)hexan-2-amine
CID 43749079
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
5-methyl-N-octyl-6-piperidin-1-ylhexanamide
CID 166830239
1-(2-chloropropyl)pyrrolidine
CID 3020097
(3S)-3-methylhexanedial
CID 129384452
1-[3-(3-ethyloxiran-2-yl)-2-methylpropyl]piperidine
CID 143175870
2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine
CID 103389396
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-piperidin-1-ylpentanal?
The IUPAC name of 4-methyl-5-piperidin-1-ylpentanal (CID 142529558) is 4-methyl-5-piperidin-1-ylpentanal.
What is the SMILES notation for 4-methyl-5-piperidin-1-ylpentanal?
The canonical SMILES for 4-methyl-5-piperidin-1-ylpentanal is CC(CCC=O)CN1CCCCC1.
What is the InChIKey of 4-methyl-5-piperidin-1-ylpentanal?
The InChIKey is JOWLENQFIUSGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(6-5-9-13)10-12-7-3-2-4-8-12/h9,11H,2-8,10H2,1H3.
What are the key properties of 4-methyl-5-piperidin-1-ylpentanal?
4-methyl-5-piperidin-1-ylpentanal has a molecular weight of 183.29 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-piperidin-1-ylpentanal is sourced from PubChem (CID 142529558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).