1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine

C13H28N4 — CID 115230482

IUPAC1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine
SMILESCN1CCC(NCCCN2CCNCC2)CC1
InChIInChI=1S/C13H28N4/c1-16-9-3-13(4-10-16)15-5-2-8-17-11-6-14-7-12-17/h13-15H,2-12H2,1H3
InChIKeyQGZJSEHZJOUOMP-UHFFFAOYSA-N
MW240.39 g/mol
LogP-0.03
Rot. Bonds5

About 1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine

1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine (PubChem CID 115230482) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine
PubChem CID115230482
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine
SMILESCN1CCC(NCCCN2CCNCC2)CC1
InChIInChI=1S/C13H28N4/c1-16-9-3-13(4-10-16)15-5-2-8-17-11-6-14-7-12-17/h13-15H,2-12H2,1H3
InChIKeyQGZJSEHZJOUOMP-UHFFFAOYSA-N
XLogP-0.03
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine
CID 115230561
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine
CID 115230617
N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine
CID 62569104
1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine
CID 115255442
6-[(1-methylpiperidin-4-yl)amino]hexan-1-ol
CID 115906765
1-methyl-N-(4-methylpentyl)piperidin-4-amine
CID 61043783
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propylcyclohexan-1-amine
CID 28656952
N-ethyl-3-piperazin-1-ylpropan-1-amine
CID 89107698
N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine
CID 60693743
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine
CID 65070783
1-methyl-N-pent-4-ynylpiperidin-4-amine
CID 115677396

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine (CID 115230482) is 1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine is CN1CCC(NCCCN2CCNCC2)CC1.
What is the InChIKey of 1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine?
The InChIKey is QGZJSEHZJOUOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-16-9-3-13(4-10-16)15-5-2-8-17-11-6-14-7-12-17/h13-15H,2-12H2,1H3.
What are the key properties of 1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine?
1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine has a molecular weight of 240.39 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine is sourced from PubChem (CID 115230482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).