N,N-dimethyl-1-(1-methylpiperidin-4-yl)-1-piperazin-1-ylmethanamine

C13H28N4 — CID 116909723

IUPACN,N-dimethyl-1-(1-methylpiperidin-4-yl)-1-piperazin-1-ylmethanamine
SMILESCN1CCC(C(N(C)C)N2CCNCC2)CC1
InChIInChI=1S/C13H28N4/c1-15(2)13(17-10-6-14-7-11-17)12-4-8-16(3)9-5-12/h12-14H,4-11H2,1-3H3
InChIKeyTUMDBFPCIDAHLL-UHFFFAOYSA-N
MW240.39 g/mol
LogP0.12
Rot. Bonds3

About N,N-dimethyl-1-(1-methylpiperidin-4-yl)-1-piperazin-1-ylmethanamine

N,N-dimethyl-1-(1-methylpiperidin-4-yl)-1-piperazin-1-ylmethanamine (PubChem CID 116909723) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-methylpiperidin-4-yl)-1-piperazin-1-ylmethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-methylpiperidin-4-yl)-1-piperazin-1-ylmethanamine
PubChem CID116909723
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC NameN,N-dimethyl-1-(1-methylpiperidin-4-yl)-1-piperazin-1-ylmethanamine
SMILESCN1CCC(C(N(C)C)N2CCNCC2)CC1
InChIInChI=1S/C13H28N4/c1-15(2)13(17-10-6-14-7-11-17)12-4-8-16(3)9-5-12/h12-14H,4-11H2,1-3H3
InChIKeyTUMDBFPCIDAHLL-UHFFFAOYSA-N
XLogP0.12
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-N,N-dimethyl-1-(1-methylpiperidin-4-yl)methanamine
CID 116914570
N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)-4-piperazin-1-ylbutan-1-amine
CID 116911286
1-methyl-7-propan-2-yl-1,4,7,10-tetrazacyclododecane
CID 145053856
N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255793
N,N-dimethylpropan-2-amine;1-propan-2-ylpiperazine
CID 160682152
N,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine
CID 115229945
N,1-dimethyl-N-(3-piperazin-1-ylbutyl)pyrrolidin-3-amine
CID 115255475
N,N-dimethyl-5-piperazin-1-ylhexan-3-amine
CID 116913942
1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine
CID 20500744
1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 13461315
1-methyl-1,4,7,10,13-pentazacyclopentadecane
CID 18705592
1-methylpiperazine;dihydrochloride
CID 2734715

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-methylpiperidin-4-yl)-1-piperazin-1-ylmethanamine?
The IUPAC name of N,N-dimethyl-1-(1-methylpiperidin-4-yl)-1-piperazin-1-ylmethanamine (CID 116909723) is N,N-dimethyl-1-(1-methylpiperidin-4-yl)-1-piperazin-1-ylmethanamine.
What is the SMILES notation for N,N-dimethyl-1-(1-methylpiperidin-4-yl)-1-piperazin-1-ylmethanamine?
The canonical SMILES for N,N-dimethyl-1-(1-methylpiperidin-4-yl)-1-piperazin-1-ylmethanamine is CN1CCC(C(N(C)C)N2CCNCC2)CC1.
What is the InChIKey of N,N-dimethyl-1-(1-methylpiperidin-4-yl)-1-piperazin-1-ylmethanamine?
The InChIKey is TUMDBFPCIDAHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-15(2)13(17-10-6-14-7-11-17)12-4-8-16(3)9-5-12/h12-14H,4-11H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(1-methylpiperidin-4-yl)-1-piperazin-1-ylmethanamine?
N,N-dimethyl-1-(1-methylpiperidin-4-yl)-1-piperazin-1-ylmethanamine has a molecular weight of 240.39 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-methylpiperidin-4-yl)-1-piperazin-1-ylmethanamine is sourced from PubChem (CID 116909723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).