(4-tert-butylphenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone

C22H27ClN2O — CID 1292455

IUPAC(4-tert-butylphenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1Cl
InChIInChI=1S/C22H27ClN2O/c1-16-5-10-19(15-20(16)23)24-11-13-25(14-12-24)21(26)17-6-8-18(9-7-17)22(2,3)4/h5-10,15H,11-14H2,1-4H3
InChIKeyYPURTTQBDWHWHR-UHFFFAOYSA-N
MW370.92 g/mol
LogP4.91
Rot. Bonds2

About (4-tert-butylphenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone

(4-tert-butylphenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone (PubChem CID 1292455) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone
PubChem CID1292455
Molecular FormulaC22H27ClN2O
Molecular Weight370.92 g/mol
Exact Mass370.18
IUPAC Name(4-tert-butylphenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1Cl
InChIInChI=1S/C22H27ClN2O/c1-16-5-10-19(15-20(16)23)24-11-13-25(14-12-24)21(26)17-6-8-18(9-7-17)22(2,3)4/h5-10,15H,11-14H2,1-4H3
InChIKeyYPURTTQBDWHWHR-UHFFFAOYSA-N
XLogP4.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone (CID 1292455) is (4-tert-butylphenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone is Cc1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1Cl.
What is the InChIKey of (4-tert-butylphenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is YPURTTQBDWHWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O/c1-16-5-10-19(15-20(16)23)24-11-13-25(14-12-24)21(26)17-6-8-18(9-7-17)22(2,3)4/h5-10,15H,11-14H2,1-4H3.
What are the key properties of (4-tert-butylphenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone?
(4-tert-butylphenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 370.92 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1292455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).