1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine

C21H28N2 — CID 1375687

IUPAC1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
SMILESCc1ccc(N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C21H28N2/c1-17(2)20-8-6-19(7-9-20)16-22-12-14-23(15-13-22)21-10-4-18(3)5-11-21/h4-11,17H,12-16H2,1-3H3
InChIKeyILEGHFJUTIUDHF-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.44
Rot. Bonds4

About 1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine

1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine (PubChem CID 1375687) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
PubChem CID1375687
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
SMILESCc1ccc(N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C21H28N2/c1-17(2)20-8-6-19(7-9-20)16-22-12-14-23(15-13-22)21-10-4-18(3)5-11-21/h4-11,17H,12-16H2,1-3H3
InChIKeyILEGHFJUTIUDHF-UHFFFAOYSA-N
XLogP4.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(4-methylphenyl)piperazin-1-yl]methyl]aniline
CID 21331844
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
1-(2-chloroethyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 55183481
2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol
CID 27156309
1-(4-methylphenyl)-4-(1H-pyrrol-3-ylmethyl)piperazine
CID 19958485
2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetonitrile
CID 60676643
1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine)
CID 158500114
1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine
CID 174263891
2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 43252940
1-(4-chlorophenyl)-4-[(5-propan-2-yl-2-propylphenyl)methyl]piperazine
CID 70919328
3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]aniline
CID 135126748
2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110399044

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine?
The IUPAC name of 1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine (CID 1375687) is 1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine is Cc1ccc(N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine?
The InChIKey is ILEGHFJUTIUDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-17(2)20-8-6-19(7-9-20)16-22-12-14-23(15-13-22)21-10-4-18(3)5-11-21/h4-11,17H,12-16H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine?
1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine has a molecular weight of 308.47 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine is sourced from PubChem (CID 1375687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).