N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine

C15H32N4 — CID 115230617

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine
SMILESCN1CCC(CCNCCCN2CCNCC2)CC1
InChIInChI=1S/C15H32N4/c1-18-11-4-15(5-12-18)3-7-16-6-2-10-19-13-8-17-9-14-19/h15-17H,2-14H2,1H3
InChIKeyDZPHIMHXGRNBMU-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.60
Rot. Bonds7

About N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine

N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine (PubChem CID 115230617) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine
PubChem CID115230617
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine
SMILESCN1CCC(CCNCCCN2CCNCC2)CC1
InChIInChI=1S/C15H32N4/c1-18-11-4-15(5-12-18)3-7-16-6-2-10-19-13-8-17-9-14-19/h15-17H,2-14H2,1H3
InChIKeyDZPHIMHXGRNBMU-UHFFFAOYSA-N
XLogP0.60
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine 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

2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine
CID 115230410
N-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine
CID 115230614
N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine
CID 115230561
1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine
CID 115230482
2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
CID 115210457
3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 544912
3-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707878
N-(3-piperazin-1-ylpropyl)pentan-1-amine
CID 67333838
N-ethyl-3-piperazin-1-ylpropan-1-amine
CID 89107698
N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255
N-(3-piperazin-1-ylpropyl)hexan-1-amine
CID 135182222
N-[2-(1-methylpiperidin-4-yl)ethyl]pent-4-yn-1-amine
CID 114515637

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine (CID 115230617) is N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine is CN1CCC(CCNCCCN2CCNCC2)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine?
The InChIKey is DZPHIMHXGRNBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-18-11-4-15(5-12-18)3-7-16-6-2-10-19-13-8-17-9-14-19/h15-17H,2-14H2,1H3.
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine?
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine has a molecular weight of 268.45 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 115230617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).