1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one

C14H28N2O — CID 157204487

IUPAC1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one
SMILESCCCC(=O)CCCN1CCN(C(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-4-6-14(17)7-5-8-15-9-11-16(12-10-15)13(2)3/h13H,4-12H2,1-3H3
InChIKeyGVSDDKVSXVMPJZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.16
Rot. Bonds7

About 1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one

1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one (PubChem CID 157204487) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one.

Molecular Properties

Compound Name1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one
PubChem CID157204487
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one
SMILESCCCC(=O)CCCN1CCN(C(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-4-6-14(17)7-5-8-15-9-11-16(12-10-15)13(2)3/h13H,4-12H2,1-3H3
InChIKeyGVSDDKVSXVMPJZ-UHFFFAOYSA-N
XLogP2.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 22218549
6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one
CID 106801418
10-[4-(3-methoxypropyl)piperazin-1-yl]decan-4-one
CID 169229142
2-(4-nonylpiperazin-1-yl)propanoic acid
CID 62310084
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
1-(5-chloropentyl)-4-propan-2-ylpiperazine
CID 61288760
1-(7-methyloctyl)-4-propan-2-ylpiperazine
CID 168753861
6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one
CID 159995682
1-(8-methyldecyl)-4-propan-2-ylpiperazine
CID 171838375
3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine
CID 61387216
2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 4739630
1-(2-bromoethyl)-4-propan-2-ylpiperazine
CID 53415431

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one?
The IUPAC name of 1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one (CID 157204487) is 1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one.
What is the SMILES notation for 1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one?
The canonical SMILES for 1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one is CCCC(=O)CCCN1CCN(C(C)C)CC1.
What is the InChIKey of 1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one?
The InChIKey is GVSDDKVSXVMPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-6-14(17)7-5-8-15-9-11-16(12-10-15)13(2)3/h13H,4-12H2,1-3H3.
What are the key properties of 1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one?
1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one has a molecular weight of 240.39 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one is sourced from PubChem (CID 157204487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).