1-(4-methylpiperazin-1-yl)decan-1-one

C15H30N2O — CID 3416567

IUPAC1-(4-methylpiperazin-1-yl)decan-1-one
SMILESCCCCCCCCCC(=O)N1CCN(C)CC1
InChIInChI=1S/C15H30N2O/c1-3-4-5-6-7-8-9-10-15(18)17-13-11-16(2)12-14-17/h3-14H2,1-2H3
InChIKeyCJDQMVCGMMYXHJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.90
Rot. Bonds8

About 1-(4-methylpiperazin-1-yl)decan-1-one

1-(4-methylpiperazin-1-yl)decan-1-one (PubChem CID 3416567) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)decan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)decan-1-one
PubChem CID3416567
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-(4-methylpiperazin-1-yl)decan-1-one
SMILESCCCCCCCCCC(=O)N1CCN(C)CC1
InChIInChI=1S/C15H30N2O/c1-3-4-5-6-7-8-9-10-15(18)17-13-11-16(2)12-14-17/h3-14H2,1-2H3
InChIKeyCJDQMVCGMMYXHJ-UHFFFAOYSA-N
XLogP2.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Hexanoylpiperidine
CID 246831
Diethyl caprylamide
CID 70456
Pexantel
CID 667497
4-Hexadecanoyl-1,1-dimethylpiperazin-1-ium iodide
CID 19981254
N,N-Diethyldecanamide
CID 304087
1-(4-Ethyl-4-methylpiperazin-4-ium-1-yl)hexadecan-1-one iodide
CID 24944585
1-(4,4-Dimethylpiperazin-4-ium-1-yl)icosan-1-one iodide
CID 24944660
1-(4-Ethyl-4-methylpiperazin-4-ium-1-yl)docosan-1-one iodide
CID 24944735
1-(4,4-Dimethylpiperazin-4-ium-1-yl)docosan-1-one iodide
CID 24945654
1-(Piperidin-1-yl)dodecan-1-one
CID 246811
1-(Piperidin-1-yl)hexadecan-1-one
CID 246833
N,N-diethylnonanamide
CID 303119

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)decan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)decan-1-one (CID 3416567) is 1-(4-methylpiperazin-1-yl)decan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)decan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)decan-1-one is CCCCCCCCCC(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)decan-1-one?
The InChIKey is CJDQMVCGMMYXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-4-5-6-7-8-9-10-15(18)17-13-11-16(2)12-14-17/h3-14H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)decan-1-one?
1-(4-methylpiperazin-1-yl)decan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)decan-1-one is sourced from PubChem (CID 3416567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).