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

C10H20N2O — CID 3532020

IUPAC1-(4-methylpiperazin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCN(C)CC1
InChIInChI=1S/C10H20N2O/c1-3-4-5-10(13)12-8-6-11(2)7-9-12/h3-9H2,1-2H3
InChIKeyJDNGEKSTTQZLHP-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.95
Rot. Bonds3

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

1-(4-methylpiperazin-1-yl)pentan-1-one (PubChem CID 3532020) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)pentan-1-one
PubChem CID3532020
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(4-methylpiperazin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCN(C)CC1
InChIInChI=1S/C10H20N2O/c1-3-4-5-10(13)12-8-6-11(2)7-9-12/h3-9H2,1-2H3
InChIKeyJDNGEKSTTQZLHP-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)pentan-1-one (CID 3532020) is 1-(4-methylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)pentan-1-one is CCCCC(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)pentan-1-one?
The InChIKey is JDNGEKSTTQZLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-4-5-10(13)12-8-6-11(2)7-9-12/h3-9H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)pentan-1-one?
1-(4-methylpiperazin-1-yl)pentan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.95, 3 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)pentan-1-one is sourced from PubChem (CID 3532020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).