N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]cyclohexanamine;trihydrochloride

C19H33Cl4N3 — CID 22765924

IUPACN-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]cyclohexanamine;trihydrochloride
SMILESCl.Cl.Cl.Clc1ccc(N2CCN(CCCNC3CCCCC3)CC2)cc1
InChIInChI=1S/C19H30ClN3.3ClH/c20-17-7-9-19(10-8-17)23-15-13-22(14-16-23)12-4-11-21-18-5-2-1-3-6-18;;;/h7-10,18,21H,1-6,11-16H2;3*1H
InChIKeyWEYKLZFRDDNJGF-UHFFFAOYSA-N
MW445.31 g/mol
LogP5.04
Rot. Bonds6

About N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]cyclohexanamine;trihydrochloride

N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]cyclohexanamine;trihydrochloride (PubChem CID 22765924) has the molecular formula C19H33Cl4N3 and a molecular weight of 445.31 g/mol. Its IUPAC name is N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]cyclohexanamine;trihydrochloride.

Molecular Properties

Compound NameN-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]cyclohexanamine;trihydrochloride
PubChem CID22765924
Molecular FormulaC19H33Cl4N3
Molecular Weight445.31 g/mol
Exact Mass443.14
IUPAC NameN-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]cyclohexanamine;trihydrochloride
SMILESCl.Cl.Cl.Clc1ccc(N2CCN(CCCNC3CCCCC3)CC2)cc1
InChIInChI=1S/C19H30ClN3.3ClH/c20-17-7-9-19(10-8-17)23-15-13-22(14-16-23)12-4-11-21-18-5-2-1-3-6-18;;;/h7-10,18,21H,1-6,11-16H2;3*1H
InChIKeyWEYKLZFRDDNJGF-UHFFFAOYSA-N
XLogP5.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.31
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]cyclohexanamine;trihydrochloride?
The IUPAC name of N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]cyclohexanamine;trihydrochloride (CID 22765924) is N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]cyclohexanamine;trihydrochloride.
What is the SMILES notation for N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]cyclohexanamine;trihydrochloride?
The canonical SMILES for N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]cyclohexanamine;trihydrochloride is Cl.Cl.Cl.Clc1ccc(N2CCN(CCCNC3CCCCC3)CC2)cc1.
What is the InChIKey of N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]cyclohexanamine;trihydrochloride?
The InChIKey is WEYKLZFRDDNJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3.3ClH/c20-17-7-9-19(10-8-17)23-15-13-22(14-16-23)12-4-11-21-18-5-2-1-3-6-18;;;/h7-10,18,21H,1-6,11-16H2;3*1H.
What are the key properties of N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]cyclohexanamine;trihydrochloride?
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]cyclohexanamine;trihydrochloride has a molecular weight of 445.31 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]cyclohexanamine;trihydrochloride is sourced from PubChem (CID 22765924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).