1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one

C15H28N2O — CID 63259335

IUPAC1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one
SMILESCCCCCC(=O)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C15H28N2O/c1-2-3-4-7-15(18)17-11-8-13(9-12-17)14-6-5-10-16-14/h13-14,16H,2-12H2,1H3
InChIKeyYAOJSKVUZDQTKK-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.56
Rot. Bonds5

About 1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one

1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one (PubChem CID 63259335) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one
PubChem CID63259335
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one
SMILESCCCCCC(=O)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C15H28N2O/c1-2-3-4-7-15(18)17-11-8-13(9-12-17)14-6-5-10-16-14/h13-14,16H,2-12H2,1H3
InChIKeyYAOJSKVUZDQTKK-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-pentyl-4-pyrrolidin-2-ylpiperidine
CID 63255578
1-(4-pyrrolidin-2-ylpiperidin-1-yl)pent-4-en-1-one
CID 63259498
1-(4-piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride
CID 11661301
2-ethoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
CID 119999570
4,4,4-trifluoro-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119999728
1-decyl-4-pyrrolidin-2-ylpiperidine
CID 63404665
2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
CID 119999699
1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one
CID 65428876
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
1-(3-piperidin-4-ylpyrrolidin-1-yl)heptan-1-one
CID 115276420
2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119999275
1-piperazin-1-ylpentadecan-1-one
CID 126705881

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one?
The IUPAC name of 1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one (CID 63259335) is 1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one.
What is the SMILES notation for 1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one?
The canonical SMILES for 1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one is CCCCCC(=O)N1CCC(C2CCCN2)CC1.
What is the InChIKey of 1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one?
The InChIKey is YAOJSKVUZDQTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-3-4-7-15(18)17-11-8-13(9-12-17)14-6-5-10-16-14/h13-14,16H,2-12H2,1H3.
What are the key properties of 1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one?
1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one is sourced from PubChem (CID 63259335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).