1-(4-chlorophenyl)-4-(4-methyl-4-phenylhexyl)piperazine

C23H31ClN2 — CID 70151216

IUPAC1-(4-chlorophenyl)-4-(4-methyl-4-phenylhexyl)piperazine
SMILESCCC(C)(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C23H31ClN2/c1-3-23(2,20-8-5-4-6-9-20)14-7-15-25-16-18-26(19-17-25)22-12-10-21(24)11-13-22/h4-6,8-13H,3,7,14-19H2,1-2H3
InChIKeyMMANFYCBJHEOLO-UHFFFAOYSA-N
MW370.97 g/mol
LogP5.61
Rot. Bonds7

About 1-(4-chlorophenyl)-4-(4-methyl-4-phenylhexyl)piperazine

1-(4-chlorophenyl)-4-(4-methyl-4-phenylhexyl)piperazine (PubChem CID 70151216) has the molecular formula C23H31ClN2 and a molecular weight of 370.97 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(4-methyl-4-phenylhexyl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(4-methyl-4-phenylhexyl)piperazine
PubChem CID70151216
Molecular FormulaC23H31ClN2
Molecular Weight370.97 g/mol
Exact Mass370.22
IUPAC Name1-(4-chlorophenyl)-4-(4-methyl-4-phenylhexyl)piperazine
SMILESCCC(C)(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C23H31ClN2/c1-3-23(2,20-8-5-4-6-9-20)14-7-15-25-16-18-26(19-17-25)22-12-10-21(24)11-13-22/h4-6,8-13H,3,7,14-19H2,1-2H3
InChIKeyMMANFYCBJHEOLO-UHFFFAOYSA-N
XLogP5.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.97
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl 5-[4-(4-chlorophenyl)piperazin-1-yl]-2-ethyl-2-phenylpentanoate
CID 139943299
methyl 6-[4-(4-ethylphenyl)piperazin-1-yl]-3-methyl-3-phenylhexanoate
CID 142045214
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 79326592
methyl 6-[4-(4-bromophenyl)piperazin-1-yl]-3-methyl-3-phenylhexanoate
CID 142045202
1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine
CID 61386697
methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 15515475
propan-2-yl 5-[4-[3-(4-chlorophenyl)phenyl]piperazin-1-yl]-2-ethyl-2-phenylpentanoate
CID 90973274
propyl 5-[4-[4-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 139943265
1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707
1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine
CID 68557259
methyl 3-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylhexanoate
CID 142045206

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(4-methyl-4-phenylhexyl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-(4-methyl-4-phenylhexyl)piperazine (CID 70151216) is 1-(4-chlorophenyl)-4-(4-methyl-4-phenylhexyl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(4-methyl-4-phenylhexyl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(4-methyl-4-phenylhexyl)piperazine is CCC(C)(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(4-methyl-4-phenylhexyl)piperazine?
The InChIKey is MMANFYCBJHEOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN2/c1-3-23(2,20-8-5-4-6-9-20)14-7-15-25-16-18-26(19-17-25)22-12-10-21(24)11-13-22/h4-6,8-13H,3,7,14-19H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-4-(4-methyl-4-phenylhexyl)piperazine?
1-(4-chlorophenyl)-4-(4-methyl-4-phenylhexyl)piperazine has a molecular weight of 370.97 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(4-methyl-4-phenylhexyl)piperazine is sourced from PubChem (CID 70151216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).