3-[2-(dimethylamino)piperidin-1-yl]hexanal

C13H26N2O — CID 173299916

IUPAC3-[2-(dimethylamino)piperidin-1-yl]hexanal
SMILESCCCC(CC=O)N1CCCCC1N(C)C
InChIInChI=1S/C13H26N2O/c1-4-7-12(9-11-16)15-10-6-5-8-13(15)14(2)3/h11-13H,4-10H2,1-3H3
InChIKeyMYTRSMTYBIZQIE-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.12
Rot. Bonds6

About 3-[2-(dimethylamino)piperidin-1-yl]hexanal

3-[2-(dimethylamino)piperidin-1-yl]hexanal (PubChem CID 173299916) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[2-(dimethylamino)piperidin-1-yl]hexanal.

Molecular Properties

Compound Name3-[2-(dimethylamino)piperidin-1-yl]hexanal
PubChem CID173299916
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[2-(dimethylamino)piperidin-1-yl]hexanal
SMILESCCCC(CC=O)N1CCCCC1N(C)C
InChIInChI=1S/C13H26N2O/c1-4-7-12(9-11-16)15-10-6-5-8-13(15)14(2)3/h11-13H,4-10H2,1-3H3
InChIKeyMYTRSMTYBIZQIE-UHFFFAOYSA-N
XLogP2.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-heptan-4-yl-2-methylpiperidine
CID 143279420
N-methyl-2-(2-methylpiperidin-1-yl)pentan-1-amine
CID 83043313
1-heptan-4-yl-N,N-dimethylpiperidine-3-carboxamide
CID 174980443
1-hexan-3-yl-N,N-dimethylpiperidin-3-amine
CID 143456781
2-pentan-2-yl-1-propan-2-ylpiperidine
CID 135193938
2-(dimethylamino)piperidine-1-carbothialdehyde
CID 54414561
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpentan-1-amine
CID 102728565
N-ethyl-2-(2-methylpyrrolidin-1-yl)pentan-1-amine
CID 83043110
2-[2-(2-oxopropyl)piperidin-1-yl]pentanoic acid
CID 83041043
2-(2-ethylpyrrolidin-1-yl)pentan-1-amine
CID 60974673
1-(1-heptan-4-ylpyrrolidin-2-yl)-N-methylmethanamine
CID 115316239
2-(2-oxocyclohexyl)pentanal
CID 174565613

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)piperidin-1-yl]hexanal?
The IUPAC name of 3-[2-(dimethylamino)piperidin-1-yl]hexanal (CID 173299916) is 3-[2-(dimethylamino)piperidin-1-yl]hexanal.
What is the SMILES notation for 3-[2-(dimethylamino)piperidin-1-yl]hexanal?
The canonical SMILES for 3-[2-(dimethylamino)piperidin-1-yl]hexanal is CCCC(CC=O)N1CCCCC1N(C)C.
What is the InChIKey of 3-[2-(dimethylamino)piperidin-1-yl]hexanal?
The InChIKey is MYTRSMTYBIZQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-7-12(9-11-16)15-10-6-5-8-13(15)14(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)piperidin-1-yl]hexanal?
3-[2-(dimethylamino)piperidin-1-yl]hexanal has a molecular weight of 226.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)piperidin-1-yl]hexanal is sourced from PubChem (CID 173299916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).