3-(4-methylpiperazin-1-yl)propan-1-amine;trihydrochloride

C8H22Cl3N3 — CID 3050147

IUPAC3-(4-methylpiperazin-1-yl)propan-1-amine;trihydrochloride
SMILESCN1CCN(CCCN)CC1.Cl.Cl.Cl
InChIInChI=1S/C8H19N3.3ClH/c1-10-5-7-11(8-6-10)4-2-3-9;;;/h2-9H2,1H3;3*1H
InChIKeyCDLYYAIRCNXZJU-UHFFFAOYSA-N
MW266.64 g/mol
LogP0.85
Rot. Bonds3

About 3-(4-methylpiperazin-1-yl)propan-1-amine;trihydrochloride

3-(4-methylpiperazin-1-yl)propan-1-amine;trihydrochloride (PubChem CID 3050147) has the molecular formula C8H22Cl3N3 and a molecular weight of 266.64 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)propan-1-amine;trihydrochloride.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)propan-1-amine;trihydrochloride
PubChem CID3050147
Molecular FormulaC8H22Cl3N3
Molecular Weight266.64 g/mol
Exact Mass265.09
IUPAC Name3-(4-methylpiperazin-1-yl)propan-1-amine;trihydrochloride
SMILESCN1CCN(CCCN)CC1.Cl.Cl.Cl
InChIInChI=1S/C8H19N3.3ClH/c1-10-5-7-11(8-6-10)4-2-3-9;;;/h2-9H2,1H3;3*1H
InChIKeyCDLYYAIRCNXZJU-UHFFFAOYSA-N
XLogP0.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.64
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)propan-1-amine;trihydrochloride?
The IUPAC name of 3-(4-methylpiperazin-1-yl)propan-1-amine;trihydrochloride (CID 3050147) is 3-(4-methylpiperazin-1-yl)propan-1-amine;trihydrochloride.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)propan-1-amine;trihydrochloride?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)propan-1-amine;trihydrochloride is CN1CCN(CCCN)CC1.Cl.Cl.Cl.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)propan-1-amine;trihydrochloride?
The InChIKey is CDLYYAIRCNXZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3.3ClH/c1-10-5-7-11(8-6-10)4-2-3-9;;;/h2-9H2,1H3;3*1H.
What are the key properties of 3-(4-methylpiperazin-1-yl)propan-1-amine;trihydrochloride?
3-(4-methylpiperazin-1-yl)propan-1-amine;trihydrochloride has a molecular weight of 266.64 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)propan-1-amine;trihydrochloride is sourced from PubChem (CID 3050147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).