N-methyl-1-(1-methylpiperidin-4-yl)-N-(piperazin-1-ylmethyl)methanamine

C13H28N4 — CID 115230110

IUPACN-methyl-1-(1-methylpiperidin-4-yl)-N-(piperazin-1-ylmethyl)methanamine
SMILESCN1CCC(CN(C)CN2CCNCC2)CC1
InChIInChI=1S/C13H28N4/c1-15-7-3-13(4-8-15)11-16(2)12-17-9-5-14-6-10-17/h13-14H,3-12H2,1-2H3
InChIKeyQDIZMMSMXMZBHY-UHFFFAOYSA-N
MW240.39 g/mol
LogP0.12
Rot. Bonds4

About N-methyl-1-(1-methylpiperidin-4-yl)-N-(piperazin-1-ylmethyl)methanamine

N-methyl-1-(1-methylpiperidin-4-yl)-N-(piperazin-1-ylmethyl)methanamine (PubChem CID 115230110) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is N-methyl-1-(1-methylpiperidin-4-yl)-N-(piperazin-1-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpiperidin-4-yl)-N-(piperazin-1-ylmethyl)methanamine
PubChem CID115230110
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC NameN-methyl-1-(1-methylpiperidin-4-yl)-N-(piperazin-1-ylmethyl)methanamine
SMILESCN1CCC(CN(C)CN2CCNCC2)CC1
InChIInChI=1S/C13H28N4/c1-15-7-3-13(4-8-15)11-16(2)12-17-9-5-14-6-10-17/h13-14H,3-12H2,1-2H3
InChIKeyQDIZMMSMXMZBHY-UHFFFAOYSA-N
XLogP0.12
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylethanamine
CID 63236887
N,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine
CID 115229945
2-(1,4-diazepan-1-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 63274337
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 62860620
N-(cyclopentylmethyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 115230585
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 63274728
[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methanethiol
CID 115228180
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]azetidin-3-amine
CID 63236886
N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 176641061
N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropanamide
CID 80548187
N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpiperidin-4-yl)-N-(piperazin-1-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(1-methylpiperidin-4-yl)-N-(piperazin-1-ylmethyl)methanamine (CID 115230110) is N-methyl-1-(1-methylpiperidin-4-yl)-N-(piperazin-1-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methylpiperidin-4-yl)-N-(piperazin-1-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(1-methylpiperidin-4-yl)-N-(piperazin-1-ylmethyl)methanamine is CN1CCC(CN(C)CN2CCNCC2)CC1.
What is the InChIKey of N-methyl-1-(1-methylpiperidin-4-yl)-N-(piperazin-1-ylmethyl)methanamine?
The InChIKey is QDIZMMSMXMZBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-15-7-3-13(4-8-15)11-16(2)12-17-9-5-14-6-10-17/h13-14H,3-12H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylpiperidin-4-yl)-N-(piperazin-1-ylmethyl)methanamine?
N-methyl-1-(1-methylpiperidin-4-yl)-N-(piperazin-1-ylmethyl)methanamine has a molecular weight of 240.39 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpiperidin-4-yl)-N-(piperazin-1-ylmethyl)methanamine is sourced from PubChem (CID 115230110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).