1-[2-(4-methyl-3-propylphenyl)ethyl]-4-phenylpiperazine

C22H30N2 — CID 44555266

IUPAC1-[2-(4-methyl-3-propylphenyl)ethyl]-4-phenylpiperazine
SMILESCCCc1cc(CCN2CCN(c3ccccc3)CC2)ccc1C
InChIInChI=1S/C22H30N2/c1-3-7-21-18-20(11-10-19(21)2)12-13-23-14-16-24(17-15-23)22-8-5-4-6-9-22/h4-6,8-11,18H,3,7,12-17H2,1-2H3
InChIKeyCDSLKNUAVOVSIT-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.31
Rot. Bonds6

About 1-[2-(4-methyl-3-propylphenyl)ethyl]-4-phenylpiperazine

1-[2-(4-methyl-3-propylphenyl)ethyl]-4-phenylpiperazine (PubChem CID 44555266) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 1-[2-(4-methyl-3-propylphenyl)ethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[2-(4-methyl-3-propylphenyl)ethyl]-4-phenylpiperazine
PubChem CID44555266
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name1-[2-(4-methyl-3-propylphenyl)ethyl]-4-phenylpiperazine
SMILESCCCc1cc(CCN2CCN(c3ccccc3)CC2)ccc1C
InChIInChI=1S/C22H30N2/c1-3-7-21-18-20(11-10-19(21)2)12-13-23-14-16-24(17-15-23)22-8-5-4-6-9-22/h4-6,8-11,18H,3,7,12-17H2,1-2H3
InChIKeyCDSLKNUAVOVSIT-UHFFFAOYSA-N
XLogP4.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-hexyl-4-methylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 66907897
1-phenyl-4-(4-propylphenyl)piperazine
CID 141108902
4-methylbenzenesulfonic acid;1-[2-(4-methyl-3-pentylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 44552876
1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine
CID 84696121
3-methyl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-one
CID 10522029
1-(5-chloro-2-pyridinyl)-4-[2-(4-methyl-3-pentylphenyl)ethyl]piperazine;hydrochloride
CID 44553412
4-methyl-3-[(4-phenylpiperazin-1-yl)methyl]aniline
CID 75532069
2-(4-butylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 38809706
1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine
CID 10788071
4-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,2-diamine
CID 11001412
2-phenyl-N-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 66561413
1-phenyl-4-[2-(5-propyl-1H-1,2,4-triazol-3-yl)ethyl]piperazine
CID 139017912

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-3-propylphenyl)ethyl]-4-phenylpiperazine?
The IUPAC name of 1-[2-(4-methyl-3-propylphenyl)ethyl]-4-phenylpiperazine (CID 44555266) is 1-[2-(4-methyl-3-propylphenyl)ethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[2-(4-methyl-3-propylphenyl)ethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[2-(4-methyl-3-propylphenyl)ethyl]-4-phenylpiperazine is CCCc1cc(CCN2CCN(c3ccccc3)CC2)ccc1C.
What is the InChIKey of 1-[2-(4-methyl-3-propylphenyl)ethyl]-4-phenylpiperazine?
The InChIKey is CDSLKNUAVOVSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-3-7-21-18-20(11-10-19(21)2)12-13-23-14-16-24(17-15-23)22-8-5-4-6-9-22/h4-6,8-11,18H,3,7,12-17H2,1-2H3.
What are the key properties of 1-[2-(4-methyl-3-propylphenyl)ethyl]-4-phenylpiperazine?
1-[2-(4-methyl-3-propylphenyl)ethyl]-4-phenylpiperazine has a molecular weight of 322.50 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-3-propylphenyl)ethyl]-4-phenylpiperazine is sourced from PubChem (CID 44555266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).