1-[1-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-5-piperazin-1-ylnonoxy]nonan-5-yl]piperazine

C38H60Cl2N4O — CID 174488177

IUPAC1-[1-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-5-piperazin-1-ylnonoxy]nonan-5-yl]piperazine
SMILESCCCCC(CCCC(OC(CCCC(CCCC)N1CCNCC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C38H60Cl2N4O/c1-3-5-9-35(43-27-23-41-24-28-43)11-7-13-37(31-15-19-33(39)20-16-31)45-38(32-17-21-34(40)22-18-32)14-8-12-36(10-6-4-2)44-29-25-42-26-30-44/h15-22,35-38,41-42H,3-14,23-30H2,1-2H3
InChIKeyZWWZXFMOTRXJQY-UHFFFAOYSA-N
MW659.83 g/mol
LogP9.06
Rot. Bonds20

About 1-[1-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-5-piperazin-1-ylnonoxy]nonan-5-yl]piperazine

1-[1-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-5-piperazin-1-ylnonoxy]nonan-5-yl]piperazine (PubChem CID 174488177) has the molecular formula C38H60Cl2N4O and a molecular weight of 659.83 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-5-piperazin-1-ylnonoxy]nonan-5-yl]piperazine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-5-piperazin-1-ylnonoxy]nonan-5-yl]piperazine
PubChem CID174488177
Molecular FormulaC38H60Cl2N4O
Molecular Weight659.83 g/mol
Exact Mass658.41
IUPAC Name1-[1-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-5-piperazin-1-ylnonoxy]nonan-5-yl]piperazine
SMILESCCCCC(CCCC(OC(CCCC(CCCC)N1CCNCC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C38H60Cl2N4O/c1-3-5-9-35(43-27-23-41-24-28-43)11-7-13-37(31-15-19-33(39)20-16-31)45-38(32-17-21-34(40)22-18-32)14-8-12-36(10-6-4-2)44-29-25-42-26-30-44/h15-22,35-38,41-42H,3-14,23-30H2,1-2H3
InChIKeyZWWZXFMOTRXJQY-UHFFFAOYSA-N
XLogP9.06
TPSA39.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.83
LogP ≤ 59.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-phenylhexan-2-yl)piperazine
CID 67652874
1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine
CID 171308919
1-[1-(2,4-dichlorophenyl)pentyl]piperazine
CID 5226884
1-[(1S)-1-(2-chloro-3,6-difluorophenyl)pentyl]piperazine
CID 171166244
1-[(1R)-1-(5-chloro-2-methoxyphenyl)pentyl]piperazine
CID 171308385
1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride
CID 171308680
1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine
CID 131476591
4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171307229
1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride
CID 171166930
1-[(1S)-1-(3,4-difluorophenyl)hexyl]piperazine
CID 171166603
1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine
CID 171165002
1-oct-1-en-4-ylpiperazine
CID 66656053

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-5-piperazin-1-ylnonoxy]nonan-5-yl]piperazine?
The IUPAC name of 1-[1-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-5-piperazin-1-ylnonoxy]nonan-5-yl]piperazine (CID 174488177) is 1-[1-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-5-piperazin-1-ylnonoxy]nonan-5-yl]piperazine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-5-piperazin-1-ylnonoxy]nonan-5-yl]piperazine?
The canonical SMILES for 1-[1-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-5-piperazin-1-ylnonoxy]nonan-5-yl]piperazine is CCCCC(CCCC(OC(CCCC(CCCC)N1CCNCC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1)N1CCNCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-5-piperazin-1-ylnonoxy]nonan-5-yl]piperazine?
The InChIKey is ZWWZXFMOTRXJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H60Cl2N4O/c1-3-5-9-35(43-27-23-41-24-28-43)11-7-13-37(31-15-19-33(39)20-16-31)45-38(32-17-21-34(40)22-18-32)14-8-12-36(10-6-4-2)44-29-25-42-26-30-44/h15-22,35-38,41-42H,3-14,23-30H2,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-5-piperazin-1-ylnonoxy]nonan-5-yl]piperazine?
1-[1-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-5-piperazin-1-ylnonoxy]nonan-5-yl]piperazine has a molecular weight of 659.83 g/mol, XLogP of 9.06, 20 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-5-piperazin-1-ylnonoxy]nonan-5-yl]piperazine is sourced from PubChem (CID 174488177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).