1-(2-chloroethyl)-4-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]piperazine;tetrahydrochloride

C15H34Cl6N4 — CID 3042591

IUPAC1-(2-chloroethyl)-4-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]piperazine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.ClCCN1CCN(CCCN2CCN(CCCl)CC2)CC1
InChIInChI=1S/C15H30Cl2N4.4ClH/c16-2-6-20-12-8-18(9-13-20)4-1-5-19-10-14-21(7-3-17)15-11-19;;;;/h1-15H2;4*1H
InChIKeyBWDNAJYOPCDTTF-UHFFFAOYSA-N
MW483.18 g/mol
LogP2.78
Rot. Bonds8

About 1-(2-chloroethyl)-4-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]piperazine;tetrahydrochloride

1-(2-chloroethyl)-4-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]piperazine;tetrahydrochloride (PubChem CID 3042591) has the molecular formula C15H34Cl6N4 and a molecular weight of 483.18 g/mol. Its IUPAC name is 1-(2-chloroethyl)-4-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]piperazine;tetrahydrochloride.

Molecular Properties

Compound Name1-(2-chloroethyl)-4-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]piperazine;tetrahydrochloride
PubChem CID3042591
Molecular FormulaC15H34Cl6N4
Molecular Weight483.18 g/mol
Exact Mass480.09
IUPAC Name1-(2-chloroethyl)-4-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]piperazine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.ClCCN1CCN(CCCN2CCN(CCCl)CC2)CC1
InChIInChI=1S/C15H30Cl2N4.4ClH/c16-2-6-20-12-8-18(9-13-20)4-1-5-19-10-14-21(7-3-17)15-11-19;;;;/h1-15H2;4*1H
InChIKeyBWDNAJYOPCDTTF-UHFFFAOYSA-N
XLogP2.78
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.18
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 63387859
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1-(2-butoxyethyl)-4-(2-chloroethyl)piperazine
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1-(5-chloropentyl)-4-pentylpiperazine
CID 67898434
bis(1-(3-chloropropyl)piperazine);hydrate;tetrahydrochloride
CID 131714940
1-(4-chlorobutyl)azepane
CID 22568254
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
1-(2-chloroethyl)-4-[2-(3-methoxypropoxy)ethyl]-1,4-diazepane
CID 103183952
[4-(2-chloroethyl)piperazin-1-yl]methanesulfinic acid
CID 174695819
1-(2-chloroethyl)-4-cyclopentylpiperazine
CID 4741622
4-(2-chloroethyl)piperazine-1-carboxamide
CID 2757510

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-4-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]piperazine;tetrahydrochloride?
The IUPAC name of 1-(2-chloroethyl)-4-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]piperazine;tetrahydrochloride (CID 3042591) is 1-(2-chloroethyl)-4-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]piperazine;tetrahydrochloride.
What is the SMILES notation for 1-(2-chloroethyl)-4-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]piperazine;tetrahydrochloride?
The canonical SMILES for 1-(2-chloroethyl)-4-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]piperazine;tetrahydrochloride is Cl.Cl.Cl.Cl.ClCCN1CCN(CCCN2CCN(CCCl)CC2)CC1.
What is the InChIKey of 1-(2-chloroethyl)-4-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]piperazine;tetrahydrochloride?
The InChIKey is BWDNAJYOPCDTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30Cl2N4.4ClH/c16-2-6-20-12-8-18(9-13-20)4-1-5-19-10-14-21(7-3-17)15-11-19;;;;/h1-15H2;4*1H.
What are the key properties of 1-(2-chloroethyl)-4-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]piperazine;tetrahydrochloride?
1-(2-chloroethyl)-4-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]piperazine;tetrahydrochloride has a molecular weight of 483.18 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-4-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]piperazine;tetrahydrochloride is sourced from PubChem (CID 3042591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).