4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]piperidin-1-amine

C16H34N6 — CID 167027444

IUPAC4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]piperidin-1-amine
SMILESNN1CCC(N2CCN(CCCN3CCNCC3)CC2)CC1
InChIInChI=1S/C16H34N6/c17-22-8-2-16(3-9-22)21-14-12-20(13-15-21)7-1-6-19-10-4-18-5-11-19/h16,18H,1-15,17H2
InChIKeyNSMUMIUNJFCCIV-UHFFFAOYSA-N
MW310.49 g/mol
LogP-0.76
Rot. Bonds5

About 4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]piperidin-1-amine

4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]piperidin-1-amine (PubChem CID 167027444) has the molecular formula C16H34N6 and a molecular weight of 310.49 g/mol. Its IUPAC name is 4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]piperidin-1-amine.

Molecular Properties

Compound Name4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]piperidin-1-amine
PubChem CID167027444
Molecular FormulaC16H34N6
Molecular Weight310.49 g/mol
Exact Mass310.28
IUPAC Name4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]piperidin-1-amine
SMILESNN1CCC(N2CCN(CCCN3CCNCC3)CC2)CC1
InChIInChI=1S/C16H34N6/c17-22-8-2-16(3-9-22)21-14-12-20(13-15-21)7-1-6-19-10-4-18-5-11-19/h16,18H,1-15,17H2
InChIKeyNSMUMIUNJFCCIV-UHFFFAOYSA-N
XLogP-0.76
TPSA51.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-cyclopropyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 62212520
2-[4-(1-aminopiperidin-4-yl)piperazin-1-yl]ethyl hypoiodite
CID 166946196
1-[1-(3-ethoxypropyl)piperidin-4-yl]piperazine
CID 95464281
3-(4-piperidin-4-ylpiperazin-1-yl)propanamide
CID 174385756
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine
CID 63169674
1-cyclopropyl-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
CID 120663613
3-(4-cyclohexylpiperazin-1-yl)propan-1-amine
CID 12043292
1-[3-(3-methylazetidin-1-yl)propyl]piperazine
CID 79677275
1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine
CID 167265149
4-piperazin-1-ylbutan-1-amine;dihydrochloride
CID 139993876
2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine
CID 130322012
1-[4-(oxan-4-yl)butyl]piperazine
CID 116928640

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]piperidin-1-amine?
The IUPAC name of 4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]piperidin-1-amine (CID 167027444) is 4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]piperidin-1-amine.
What is the SMILES notation for 4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]piperidin-1-amine?
The canonical SMILES for 4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]piperidin-1-amine is NN1CCC(N2CCN(CCCN3CCNCC3)CC2)CC1.
What is the InChIKey of 4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]piperidin-1-amine?
The InChIKey is NSMUMIUNJFCCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N6/c17-22-8-2-16(3-9-22)21-14-12-20(13-15-21)7-1-6-19-10-4-18-5-11-19/h16,18H,1-15,17H2.
What are the key properties of 4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]piperidin-1-amine?
4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]piperidin-1-amine has a molecular weight of 310.49 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]piperidin-1-amine is sourced from PubChem (CID 167027444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).