3-piperazin-1-ylpropan-1-ol;dihydrochloride

C7H18Cl2N2O — CID 22460998

IUPAC3-piperazin-1-ylpropan-1-ol;dihydrochloride
SMILESCl.Cl.OCCCN1CCNCC1
InChIInChI=1S/C7H16N2O.2ClH/c10-7-1-4-9-5-2-8-3-6-9;;/h8,10H,1-7H2;2*1H
InChIKeyVKJLOUPWISPINX-UHFFFAOYSA-N
MW217.14 g/mol
LogP0.12
Rot. Bonds3

About 3-piperazin-1-ylpropan-1-ol;dihydrochloride

3-piperazin-1-ylpropan-1-ol;dihydrochloride (PubChem CID 22460998) has the molecular formula C7H18Cl2N2O and a molecular weight of 217.14 g/mol. Its IUPAC name is 3-piperazin-1-ylpropan-1-ol;dihydrochloride.

Molecular Properties

Compound Name3-piperazin-1-ylpropan-1-ol;dihydrochloride
PubChem CID22460998
Molecular FormulaC7H18Cl2N2O
Molecular Weight217.14 g/mol
Exact Mass216.08
IUPAC Name3-piperazin-1-ylpropan-1-ol;dihydrochloride
SMILESCl.Cl.OCCCN1CCNCC1
InChIInChI=1S/C7H16N2O.2ClH/c10-7-1-4-9-5-2-8-3-6-9;;/h8,10H,1-7H2;2*1H
InChIKeyVKJLOUPWISPINX-UHFFFAOYSA-N
XLogP0.12
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-piperazin-1-ylpropan-1-ol;dihydrochloride 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-piperazin-1-ylethanol;dihydrochloride
CID 21254470
2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol
CID 12963738
2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
CID 70808226
azane;2-piperazin-1-ylethanol
CID 23318747
11-bromoundecan-1-ol;piperazine;11-piperazin-1-ylundecan-1-ol
CID 158260449
ethene;2-piperazin-1-ylethanol
CID 175244492
ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol
CID 142367721
methanamine;2-piperazin-1-ylethanol
CID 142253011
4-piperazin-1-ylbutan-1-amine;dihydrochloride
CID 139993876
2-(1,4-diazepan-1-yl)ethanol
CID 2736550
bis(1-(3-chloropropyl)piperazine);hydrate;tetrahydrochloride
CID 131714940
5-piperazin-1-ylpentan-1-amine;hydrochloride
CID 86346240

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylpropan-1-ol;dihydrochloride?
The IUPAC name of 3-piperazin-1-ylpropan-1-ol;dihydrochloride (CID 22460998) is 3-piperazin-1-ylpropan-1-ol;dihydrochloride.
What is the SMILES notation for 3-piperazin-1-ylpropan-1-ol;dihydrochloride?
The canonical SMILES for 3-piperazin-1-ylpropan-1-ol;dihydrochloride is Cl.Cl.OCCCN1CCNCC1.
What is the InChIKey of 3-piperazin-1-ylpropan-1-ol;dihydrochloride?
The InChIKey is VKJLOUPWISPINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.2ClH/c10-7-1-4-9-5-2-8-3-6-9;;/h8,10H,1-7H2;2*1H.
What are the key properties of 3-piperazin-1-ylpropan-1-ol;dihydrochloride?
3-piperazin-1-ylpropan-1-ol;dihydrochloride has a molecular weight of 217.14 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylpropan-1-ol;dihydrochloride is sourced from PubChem (CID 22460998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).