(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone

C22H41NO — CID 158049756

IUPAC(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone
SMILESCC(C)(C)CC1CCC(C(=O)N2CCC(C)(C(C)(C)C)CC2)CC1
InChIInChI=1S/C22H41NO/c1-20(2,3)16-17-8-10-18(11-9-17)19(24)23-14-12-22(7,13-15-23)21(4,5)6/h17-18H,8-16H2,1-7H3
InChIKeyZEAGIKYWDZIJPW-UHFFFAOYSA-N
MW335.58 g/mol
LogP5.90
Rot. Bonds2

About (4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone

(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone (PubChem CID 158049756) has the molecular formula C22H41NO and a molecular weight of 335.58 g/mol. Its IUPAC name is (4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone
PubChem CID158049756
Molecular FormulaC22H41NO
Molecular Weight335.58 g/mol
Exact Mass335.32
IUPAC Name(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone
SMILESCC(C)(C)CC1CCC(C(=O)N2CCC(C)(C(C)(C)C)CC2)CC1
InChIInChI=1S/C22H41NO/c1-20(2,3)16-17-8-10-18(11-9-17)19(24)23-14-12-22(7,13-15-23)21(4,5)6/h17-18H,8-16H2,1-7H3
InChIKeyZEAGIKYWDZIJPW-UHFFFAOYSA-N
XLogP5.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone with MolForge

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Related Compounds

cyclopropyl-(4-methoxy-4-methylpiperidin-1-yl)methanone;ethane
CID 164564342
(4-amino-4-methylpiperidin-1-yl)-cyclopropylmethanone;hydrochloride
CID 130809222
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone
CID 107159918
[4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404369
ethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 70795313
[4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 55115030
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
[4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone
CID 134166280
cyclopropyl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200495
cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
N-[4-(4,4-dimethylpiperidine-1-carbonyl)cyclohexyl]-2,2,2-trifluoroacetamide
CID 139606156

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone?
The IUPAC name of (4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone (CID 158049756) is (4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone.
What is the SMILES notation for (4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone?
The canonical SMILES for (4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone is CC(C)(C)CC1CCC(C(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.
What is the InChIKey of (4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone?
The InChIKey is ZEAGIKYWDZIJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO/c1-20(2,3)16-17-8-10-18(11-9-17)19(24)23-14-12-22(7,13-15-23)21(4,5)6/h17-18H,8-16H2,1-7H3.
What are the key properties of (4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone?
(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone has a molecular weight of 335.58 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone is sourced from PubChem (CID 158049756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).