N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-piperidin-2-ylmethanamine

C13H28N4 — CID 106633956

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-piperidin-2-ylmethanamine
SMILESCN1CCN(C)C(CNCC2CCCCN2)C1
InChIInChI=1S/C13H28N4/c1-16-7-8-17(2)13(11-16)10-14-9-12-5-3-4-6-15-12/h12-15H,3-11H2,1-2H3
InChIKeyLQLDDCYAOHCORD-UHFFFAOYSA-N
MW240.39 g/mol
LogP-0.04
Rot. Bonds4

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-piperidin-2-ylmethanamine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-piperidin-2-ylmethanamine (PubChem CID 106633956) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-piperidin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-piperidin-2-ylmethanamine
PubChem CID106633956
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-piperidin-2-ylmethanamine
SMILESCN1CCN(C)C(CNCC2CCCCN2)C1
InChIInChI=1S/C13H28N4/c1-16-7-8-17(2)13(11-16)10-14-9-12-5-3-4-6-15-12/h12-15H,3-11H2,1-2H3
InChIKeyLQLDDCYAOHCORD-UHFFFAOYSA-N
XLogP-0.04
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpiperidin-4-yl)-N-(piperidin-2-ylmethyl)methanamine
CID 106633809
5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]pyrrolidin-2-one
CID 107529483
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 63898158
1-cyclobutyl-N-(piperidin-2-ylmethyl)methanamine
CID 106633110
1-methyl-N-(piperidin-2-ylmethyl)piperidin-4-amine
CID 106633123
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483
2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208430
1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 45099459
N-[(1,4-dimethylpiperazin-2-yl)methyl]azepan-4-amine
CID 103982170
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63897806
2,2-dimethyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 61167867
1-(1,4-dimethylpiperazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 63897981

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-piperidin-2-ylmethanamine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-piperidin-2-ylmethanamine (CID 106633956) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-piperidin-2-ylmethanamine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-piperidin-2-ylmethanamine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-piperidin-2-ylmethanamine is CN1CCN(C)C(CNCC2CCCCN2)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-piperidin-2-ylmethanamine?
The InChIKey is LQLDDCYAOHCORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-16-7-8-17(2)13(11-16)10-14-9-12-5-3-4-6-15-12/h12-15H,3-11H2,1-2H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-piperidin-2-ylmethanamine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-piperidin-2-ylmethanamine has a molecular weight of 240.39 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-piperidin-2-ylmethanamine is sourced from PubChem (CID 106633956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).