(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone

C16H24N2O — CID 82705106

IUPAC(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CNCCN1C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H24N2O/c1-12-11-17-9-10-18(12)15(19)13-5-7-14(8-6-13)16(2,3)4/h5-8,12,17H,9-11H2,1-4H3/t12-/m0/s1
InChIKeyGANBHQMEENLVLD-LBPRGKRZSA-N
MW260.38 g/mol
LogP2.42
Rot. Bonds1

About (4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone

(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone (PubChem CID 82705106) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
PubChem CID82705106
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CNCCN1C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H24N2O/c1-12-11-17-9-10-18(12)15(19)13-5-7-14(8-6-13)16(2,3)4/h5-8,12,17H,9-11H2,1-4H3/t12-/m0/s1
InChIKeyGANBHQMEENLVLD-LBPRGKRZSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-tert-butylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62673639
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
[4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 50999638
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
(2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119472401
[4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 62672938
(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 119470393
(2-methylpiperazin-1-yl)-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119473409
(4-tert-butylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571764

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone (CID 82705106) is (4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone is C[C@H]1CNCCN1C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone?
The InChIKey is GANBHQMEENLVLD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-11-17-9-10-18(12)15(19)13-5-7-14(8-6-13)16(2,3)4/h5-8,12,17H,9-11H2,1-4H3/t12-/m0/s1.
What are the key properties of (4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone?
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone has a molecular weight of 260.38 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 82705106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).