1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride

C22H32Cl2N2 — CID 171310494

IUPAC1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride
SMILESCC(C)CC[C@@H](c1cccc(-c2ccccc2)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C22H30N2.2ClH/c1-18(2)11-12-22(24-15-13-23-14-16-24)21-10-6-9-20(17-21)19-7-4-3-5-8-19;;/h3-10,17-18,22-23H,11-16H2,1-2H3;2*1H/t22-;;/m0../s1
InChIKeyUKAYWZASZYFWJH-IKXQUJFKSA-N
MW395.42 g/mol
LogP5.58
Rot. Bonds6

About 1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride

1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride (PubChem CID 171310494) has the molecular formula C22H32Cl2N2 and a molecular weight of 395.42 g/mol. Its IUPAC name is 1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride
PubChem CID171310494
Molecular FormulaC22H32Cl2N2
Molecular Weight395.42 g/mol
Exact Mass394.19
IUPAC Name1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride
SMILESCC(C)CC[C@@H](c1cccc(-c2ccccc2)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C22H30N2.2ClH/c1-18(2)11-12-22(24-15-13-23-14-16-24)21-10-6-9-20(17-21)19-7-4-3-5-8-19;;/h3-10,17-18,22-23H,11-16H2,1-2H3;2*1H/t22-;;/m0../s1
InChIKeyUKAYWZASZYFWJH-IKXQUJFKSA-N
XLogP5.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.42
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171283135
1-[(1R)-1-(3-phenylphenyl)butyl]piperazine
CID 171295754
1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine
CID 171310273
1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride
CID 171308362
1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171295763
1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine
CID 171308361
1-[(1R)-1-(3-bromophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310660
1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171292164
1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine
CID 171310343
1-[(1S)-1-(4-chloro-3-fluorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310312
1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine
CID 171310881
(3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189192

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride (CID 171310494) is 1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride is CC(C)CC[C@@H](c1cccc(-c2ccccc2)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride?
The InChIKey is UKAYWZASZYFWJH-IKXQUJFKSA-N. The full InChI is InChI=1S/C22H30N2.2ClH/c1-18(2)11-12-22(24-15-13-23-14-16-24)21-10-6-9-20(17-21)19-7-4-3-5-8-19;;/h3-10,17-18,22-23H,11-16H2,1-2H3;2*1H/t22-;;/m0../s1.
What are the key properties of 1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride?
1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride has a molecular weight of 395.42 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171310494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).