(4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone

C19H30N2O — CID 113072939

IUPAC(4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone
SMILESCCC(C)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H30N2O/c1-6-15(2)20-11-13-21(14-12-20)18(22)16-7-9-17(10-8-16)19(3,4)5/h7-10,15H,6,11-14H2,1-5H3
InChIKeyCEHQSFSKTZIMPS-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.54
Rot. Bonds3

About (4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone

(4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone (PubChem CID 113072939) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is (4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone.

Molecular Properties

Compound Name(4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone
PubChem CID113072939
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name(4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone
SMILESCCC(C)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H30N2O/c1-6-15(2)20-11-13-21(14-12-20)18(22)16-7-9-17(10-8-16)19(3,4)5/h7-10,15H,6,11-14H2,1-5H3
InChIKeyCEHQSFSKTZIMPS-UHFFFAOYSA-N
XLogP3.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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
(4-butan-2-ylpiperazin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107728492
[4-[(2S)-butan-2-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 796451
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
(4-butan-2-ylpiperazin-1-yl)-(6-chloro-3-pyridinyl)methanone
CID 62776003
(4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 113074817
(4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 55116787
(3-amino-4-fluorophenyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62773614
(3-bromo-4-methoxyphenyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62778016
ethyl 4-(4-tert-butylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110798584
(2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62776991
(4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone
CID 88873532

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone?
The IUPAC name of (4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone (CID 113072939) is (4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone.
What is the SMILES notation for (4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone?
The canonical SMILES for (4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone is CCC(C)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of (4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone?
The InChIKey is CEHQSFSKTZIMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-6-15(2)20-11-13-21(14-12-20)18(22)16-7-9-17(10-8-16)19(3,4)5/h7-10,15H,6,11-14H2,1-5H3.
What are the key properties of (4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone?
(4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone has a molecular weight of 302.46 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone is sourced from PubChem (CID 113072939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).