formaldehyde;1-methyl-4-propan-2-ylpiperazine

C9H20N2O — CID 157498732

IUPACformaldehyde;1-methyl-4-propan-2-ylpiperazine
SMILESC=O.CC(C)N1CCN(C)CC1
InChIInChI=1S/C8H18N2.CH2O/c1-8(2)10-6-4-9(3)5-7-10;1-2/h8H,4-7H2,1-3H3;1H2
InChIKeyBYDMRUHYNLFYKA-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.46
Rot. Bonds1

About formaldehyde;1-methyl-4-propan-2-ylpiperazine

formaldehyde;1-methyl-4-propan-2-ylpiperazine (PubChem CID 157498732) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is formaldehyde;1-methyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Nameformaldehyde;1-methyl-4-propan-2-ylpiperazine
PubChem CID157498732
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Nameformaldehyde;1-methyl-4-propan-2-ylpiperazine
SMILESC=O.CC(C)N1CCN(C)CC1
InChIInChI=1S/C8H18N2.CH2O/c1-8(2)10-6-4-9(3)5-7-10;1-2/h8H,4-7H2,1-3H3;1H2
InChIKeyBYDMRUHYNLFYKA-UHFFFAOYSA-N
XLogP0.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze formaldehyde;1-methyl-4-propan-2-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-propan-2-ylpiperazine
CID 7471963
1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
CID 170616932
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 158395030
4-ethenyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine
CID 170617106
1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine
CID 166458931
1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
CID 170629653
1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine
CID 170616803
ethane;1-methylazepane;1-propan-2-ylpiperidine
CID 170601993
1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158438628
ethane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide
CID 158908993

Frequently Asked Questions

What is the IUPAC name of formaldehyde;1-methyl-4-propan-2-ylpiperazine?
The IUPAC name of formaldehyde;1-methyl-4-propan-2-ylpiperazine (CID 157498732) is formaldehyde;1-methyl-4-propan-2-ylpiperazine.
What is the SMILES notation for formaldehyde;1-methyl-4-propan-2-ylpiperazine?
The canonical SMILES for formaldehyde;1-methyl-4-propan-2-ylpiperazine is C=O.CC(C)N1CCN(C)CC1.
What is the InChIKey of formaldehyde;1-methyl-4-propan-2-ylpiperazine?
The InChIKey is BYDMRUHYNLFYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.CH2O/c1-8(2)10-6-4-9(3)5-7-10;1-2/h8H,4-7H2,1-3H3;1H2.
What are the key properties of formaldehyde;1-methyl-4-propan-2-ylpiperazine?
formaldehyde;1-methyl-4-propan-2-ylpiperazine has a molecular weight of 172.27 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1-methyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 157498732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).