1-piperazin-1-ylpentadecan-1-one

C19H38N2O — CID 126705881

IUPAC1-piperazin-1-ylpentadecan-1-one
SMILESCCCCCCCCCCCCCCC(=O)N1CCNCC1
InChIInChI=1S/C19H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(22)21-17-15-20-16-18-21/h20H,2-18H2,1H3
InChIKeyBSHGYYWWKMYACR-UHFFFAOYSA-N
MW310.53 g/mol
LogP4.51
Rot. Bonds13

About 1-piperazin-1-ylpentadecan-1-one

1-piperazin-1-ylpentadecan-1-one (PubChem CID 126705881) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is 1-piperazin-1-ylpentadecan-1-one.

Molecular Properties

Compound Name1-piperazin-1-ylpentadecan-1-one
PubChem CID126705881
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Name1-piperazin-1-ylpentadecan-1-one
SMILESCCCCCCCCCCCCCCC(=O)N1CCNCC1
InChIInChI=1S/C19H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(22)21-17-15-20-16-18-21/h20H,2-18H2,1H3
InChIKeyBSHGYYWWKMYACR-UHFFFAOYSA-N
XLogP4.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 54.51
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

1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-(4-piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride
CID 11661301
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
1-(4-propanoylpiperazin-1-yl)tetradecan-1-one
CID 10338117
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
3-pentoxy-1-piperazin-1-ylpropan-1-one
CID 62544248
1-(4-methylpiperazin-1-yl)heptadecan-1-one
CID 10043612
1-[4-(azetidin-3-yl)piperazin-1-yl]decan-1-one
CID 66203874
1-thiomorpholin-4-ylhexadecan-1-one
CID 54266223
1-(4-ethylpiperazin-1-yl)tetradecan-1-one
CID 10358918

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylpentadecan-1-one?
The IUPAC name of 1-piperazin-1-ylpentadecan-1-one (CID 126705881) is 1-piperazin-1-ylpentadecan-1-one.
What is the SMILES notation for 1-piperazin-1-ylpentadecan-1-one?
The canonical SMILES for 1-piperazin-1-ylpentadecan-1-one is CCCCCCCCCCCCCCC(=O)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-ylpentadecan-1-one?
The InChIKey is BSHGYYWWKMYACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(22)21-17-15-20-16-18-21/h20H,2-18H2,1H3.
What are the key properties of 1-piperazin-1-ylpentadecan-1-one?
1-piperazin-1-ylpentadecan-1-one has a molecular weight of 310.53 g/mol, XLogP of 4.51, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylpentadecan-1-one is sourced from PubChem (CID 126705881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).