1-Piperazin-1-yl-3-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]propan-1-one;trihydrochloride

C19H40Cl3N5O2 — CID 120983013

IUPAC1-piperazin-1-yl-3-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]propan-1-one;trihydrochloride
SMILESCC(C)N1CCOC(C1)CN2CCN(CC2)CCC(=O)N3CCNCC3.Cl.Cl.Cl
InChIInChI=1S/C19H37N5O2.3ClH/c1-17(2)24-13-14-26-18(16-24)15-22-11-9-21(10-12-22)6-3-19(25)23-7-4-20-5-8-23;;;/h17-18,20H,3-16H2,1-2H3;3*1H
InChIKeyRZLLKGDFCPTJNY-UHFFFAOYSA-N
MW476.90 g/mol
LogP—
Rot. Bonds6

About 1-Piperazin-1-yl-3-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]propan-1-one;trihydrochloride

1-Piperazin-1-yl-3-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]propan-1-one;trihydrochloride (PubChem CID 120983013) has the molecular formula C19H40Cl3N5O2 and a molecular weight of 476.90 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]propan-1-one;trihydrochloride.

Molecular Properties

Compound Name1-Piperazin-1-yl-3-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]propan-1-one;trihydrochloride
PubChem CID120983013
Molecular FormulaC19H40Cl3N5O2
Molecular Weight476.90 g/mol
Exact Mass475.22
IUPAC Name1-piperazin-1-yl-3-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]propan-1-one;trihydrochloride
SMILESCC(C)N1CCOC(C1)CN2CCN(CC2)CCC(=O)N3CCNCC3.Cl.Cl.Cl
InChIInChI=1S/C19H37N5O2.3ClH/c1-17(2)24-13-14-26-18(16-24)15-22-11-9-21(10-12-22)6-3-19(25)23-7-4-20-5-8-23;;;/h17-18,20H,3-16H2,1-2H3;3*1H
InChIKeyRZLLKGDFCPTJNY-UHFFFAOYSA-N
XLogP—
TPSA51.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity434

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-Piperazin-1-yl-3-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]propan-1-one;trihydrochloride?
The IUPAC name of 1-Piperazin-1-yl-3-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]propan-1-one;trihydrochloride (CID 120983013) is 1-piperazin-1-yl-3-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]propan-1-one;trihydrochloride.
What is the SMILES notation for 1-Piperazin-1-yl-3-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]propan-1-one;trihydrochloride?
The canonical SMILES for 1-Piperazin-1-yl-3-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]propan-1-one;trihydrochloride is CC(C)N1CCOC(C1)CN2CCN(CC2)CCC(=O)N3CCNCC3.Cl.Cl.Cl.
What is the InChIKey of 1-Piperazin-1-yl-3-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]propan-1-one;trihydrochloride?
The InChIKey is RZLLKGDFCPTJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O2.3ClH/c1-17(2)24-13-14-26-18(16-24)15-22-11-9-21(10-12-22)6-3-19(25)23-7-4-20-5-8-23;;;/h17-18,20H,3-16H2,1-2H3;3*1H.
What are the key properties of 1-Piperazin-1-yl-3-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]propan-1-one;trihydrochloride?
1-Piperazin-1-yl-3-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]propan-1-one;trihydrochloride has a molecular weight of 476.90 g/mol, XLogP of not available, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Piperazin-1-yl-3-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]propan-1-one;trihydrochloride is sourced from PubChem (CID 120983013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).