1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride

C15H29Cl4N5 — CID 18770451

IUPAC1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.c1cc(CN2CCNCC2)nc(CN2CCNCC2)c1
InChIInChI=1S/C15H25N5.4ClH/c1-2-14(12-19-8-4-16-5-9-19)18-15(3-1)13-20-10-6-17-7-11-20;;;;/h1-3,16-17H,4-13H2;4*1H
InChIKeyBQDQSQPHDVWTQR-UHFFFAOYSA-N
MW421.24 g/mol
LogP1.58
Rot. Bonds4

About 1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride

1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride (PubChem CID 18770451) has the molecular formula C15H29Cl4N5 and a molecular weight of 421.24 g/mol. Its IUPAC name is 1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride.

Molecular Properties

Compound Name1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride
PubChem CID18770451
Molecular FormulaC15H29Cl4N5
Molecular Weight421.24 g/mol
Exact Mass419.12
IUPAC Name1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.c1cc(CN2CCNCC2)nc(CN2CCNCC2)c1
InChIInChI=1S/C15H25N5.4ClH/c1-2-14(12-19-8-4-16-5-9-19)18-15(3-1)13-20-10-6-17-7-11-20;;;;/h1-3,16-17H,4-13H2;4*1H
InChIKeyBQDQSQPHDVWTQR-UHFFFAOYSA-N
XLogP1.58
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride 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

dibromocobalt;1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine
CID 154596524
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
copper;6-(1,4,7,10-tetrazacyclododec-1-ylmethyl)pyridine-2-carboxylate;perchlorate
CID 139137423
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
[6-(azetidin-1-ylmethyl)-2-pyridinyl]methanamine
CID 105437203
2-(1,4-diazepan-1-ylmethyl)quinoline
CID 15941168
5-bromo-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 117255711
3-chloro-6-(piperazin-1-ylmethyl)pyridazine;hydrochloride
CID 71639868
10-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione
CID 11163467
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride?
The IUPAC name of 1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride (CID 18770451) is 1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride.
What is the SMILES notation for 1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride?
The canonical SMILES for 1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride is Cl.Cl.Cl.Cl.c1cc(CN2CCNCC2)nc(CN2CCNCC2)c1.
What is the InChIKey of 1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride?
The InChIKey is BQDQSQPHDVWTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5.4ClH/c1-2-14(12-19-8-4-16-5-9-19)18-15(3-1)13-20-10-6-17-7-11-20;;;;/h1-3,16-17H,4-13H2;4*1H.
What are the key properties of 1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride?
1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride has a molecular weight of 421.24 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride is sourced from PubChem (CID 18770451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).