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

C22H30N2 — CID 171310273

IUPAC1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine
SMILESCC(C)CC[C@@H](c1ccc(-c2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C22H30N2/c1-18(2)8-13-22(24-16-14-23-15-17-24)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-7,9-12,18,22-23H,8,13-17H2,1-2H3/t22-/m0/s1
InChIKeyGWYNINFBFJVNMZ-QFIPXVFZSA-N
MW322.50 g/mol
LogP4.74
Rot. Bonds6

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

1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine (PubChem CID 171310273) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine
PubChem CID171310273
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine
SMILESCC(C)CC[C@@H](c1ccc(-c2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C22H30N2/c1-18(2)8-13-22(24-16-14-23-15-17-24)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-7,9-12,18,22-23H,8,13-17H2,1-2H3/t22-/m0/s1
InChIKeyGWYNINFBFJVNMZ-QFIPXVFZSA-N
XLogP4.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride
CID 171310494
1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171292164
(3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189192
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride
CID 171181994
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292149
1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171309970
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine
CID 171292165
1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride
CID 171180179
trimethyl-[4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenoxy]silane
CID 171311005
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292166
1-[(1S)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentyl]piperazine
CID 171310237
1-[(1R)-1-(3-phenylphenyl)butyl]piperazine
CID 171295754

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine?
The IUPAC name of 1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine (CID 171310273) is 1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine.
What is the SMILES notation for 1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine?
The canonical SMILES for 1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine is CC(C)CC[C@@H](c1ccc(-c2ccccc2)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine?
The InChIKey is GWYNINFBFJVNMZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H30N2/c1-18(2)8-13-22(24-16-14-23-15-17-24)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-7,9-12,18,22-23H,8,13-17H2,1-2H3/t22-/m0/s1.
What are the key properties of 1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine?
1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine has a molecular weight of 322.50 g/mol, XLogP of 4.74, 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-(4-phenylphenyl)pentyl]piperazine is sourced from PubChem (CID 171310273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).