1-butylpiperazine;propan-2-one;propylcyclohexane

C20H42N2O — CID 143759167

IUPAC1-butylpiperazine;propan-2-one;propylcyclohexane
SMILESCC(C)=O.CCCC1CCCCC1.CCCCN1CCNCC1
InChIInChI=1S/C9H18.C8H18N2.C3H6O/c1-2-6-9-7-4-3-5-8-9;1-2-3-6-10-7-4-9-5-8-10;1-3(2)4/h9H,2-8H2,1H3;9H,2-8H2,1H3;1-2H3
InChIKeyDVUHQQVVSBIBOB-UHFFFAOYSA-N
MW326.57 g/mol
LogP4.65
Rot. Bonds5

About 1-butylpiperazine;propan-2-one;propylcyclohexane

1-butylpiperazine;propan-2-one;propylcyclohexane (PubChem CID 143759167) has the molecular formula C20H42N2O and a molecular weight of 326.57 g/mol. Its IUPAC name is 1-butylpiperazine;propan-2-one;propylcyclohexane.

Molecular Properties

Compound Name1-butylpiperazine;propan-2-one;propylcyclohexane
PubChem CID143759167
Molecular FormulaC20H42N2O
Molecular Weight326.57 g/mol
Exact Mass326.33
IUPAC Name1-butylpiperazine;propan-2-one;propylcyclohexane
SMILESCC(C)=O.CCCC1CCCCC1.CCCCN1CCNCC1
InChIInChI=1S/C9H18.C8H18N2.C3H6O/c1-2-6-9-7-4-3-5-8-9;1-2-3-6-10-7-4-9-5-8-10;1-3(2)4/h9H,2-8H2,1H3;9H,2-8H2,1H3;1-2H3
InChIKeyDVUHQQVVSBIBOB-UHFFFAOYSA-N
XLogP4.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butylpiperazine;propan-2-one;propylcyclohexane?
The IUPAC name of 1-butylpiperazine;propan-2-one;propylcyclohexane (CID 143759167) is 1-butylpiperazine;propan-2-one;propylcyclohexane.
What is the SMILES notation for 1-butylpiperazine;propan-2-one;propylcyclohexane?
The canonical SMILES for 1-butylpiperazine;propan-2-one;propylcyclohexane is CC(C)=O.CCCC1CCCCC1.CCCCN1CCNCC1.
What is the InChIKey of 1-butylpiperazine;propan-2-one;propylcyclohexane?
The InChIKey is DVUHQQVVSBIBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C8H18N2.C3H6O/c1-2-6-9-7-4-3-5-8-9;1-2-3-6-10-7-4-9-5-8-10;1-3(2)4/h9H,2-8H2,1H3;9H,2-8H2,1H3;1-2H3.
What are the key properties of 1-butylpiperazine;propan-2-one;propylcyclohexane?
1-butylpiperazine;propan-2-one;propylcyclohexane has a molecular weight of 326.57 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpiperazine;propan-2-one;propylcyclohexane is sourced from PubChem (CID 143759167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).