(4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone

C19H30N2O — CID 113074817

IUPAC(4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H30N2O/c1-18(2,3)16-9-7-15(8-10-16)17(22)20-11-13-21(14-12-20)19(4,5)6/h7-10H,11-14H2,1-6H3
InChIKeyYBGAAHVKMZRBMM-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.54
Rot. Bonds1

About (4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone

(4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone (PubChem CID 113074817) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
PubChem CID113074817
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name(4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H30N2O/c1-18(2,3)16-9-7-15(8-10-16)17(22)20-11-13-21(14-12-20)19(4,5)6/h7-10H,11-14H2,1-6H3
InChIKeyYBGAAHVKMZRBMM-UHFFFAOYSA-N
XLogP3.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
(4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706809
(4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone
CID 88873532
[3,5-bis(trifluoromethyl)phenyl]-(4-tert-butylpiperazin-1-yl)methanone
CID 21061583
(4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone
CID 113072939
(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228417
N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108535301
1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251479
ethyl 4-(4-tert-butylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110798584
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971611

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone (CID 113074817) is (4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone is CC(C)(C)c1ccc(C(=O)N2CCN(C(C)(C)C)CC2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone?
The InChIKey is YBGAAHVKMZRBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-18(2,3)16-9-7-15(8-10-16)17(22)20-11-13-21(14-12-20)19(4,5)6/h7-10H,11-14H2,1-6H3.
What are the key properties of (4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone?
(4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone has a molecular weight of 302.46 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone is sourced from PubChem (CID 113074817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).