2-methylbutan-2-yl 4-methyl-4-phenylpiperidine-1-carboxylate

C18H27NO2 — CID 174192661

IUPAC2-methylbutan-2-yl 4-methyl-4-phenylpiperidine-1-carboxylate
SMILESCCC(C)(C)OC(=O)N1CCC(C)(c2ccccc2)CC1
InChIInChI=1S/C18H27NO2/c1-5-17(2,3)21-16(20)19-13-11-18(4,12-14-19)15-9-7-6-8-10-15/h6-10H,5,11-14H2,1-4H3
InChIKeyXGBMIWYYEYKPQT-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.37
Rot. Bonds3

About 2-methylbutan-2-yl 4-methyl-4-phenylpiperidine-1-carboxylate

2-methylbutan-2-yl 4-methyl-4-phenylpiperidine-1-carboxylate (PubChem CID 174192661) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-methylbutan-2-yl 4-methyl-4-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylbutan-2-yl 4-methyl-4-phenylpiperidine-1-carboxylate
PubChem CID174192661
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-methylbutan-2-yl 4-methyl-4-phenylpiperidine-1-carboxylate
SMILESCCC(C)(C)OC(=O)N1CCC(C)(c2ccccc2)CC1
InChIInChI=1S/C18H27NO2/c1-5-17(2,3)21-16(20)19-13-11-18(4,12-14-19)15-9-7-6-8-10-15/h6-10H,5,11-14H2,1-4H3
InChIKeyXGBMIWYYEYKPQT-UHFFFAOYSA-N
XLogP4.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylbutan-2-yl (3S)-3-methyl-3-phenylpyrrolidine-1-carboxylate
CID 174192662
2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
CID 142910401
ethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate
CID 129156425
4-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]benzoic acid
CID 22076886
tert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate
CID 25133272
(E)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)but-2-en-1-one
CID 174192675
4-methyl-N,N,4-triphenylpiperidine-1-carboxamide
CID 21022116
tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 70992618
tert-butyl 4-(dimethylcarbamoyl)-4-phenylpiperidine-1-carboxylate
CID 158985906
2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
CID 11717371
tert-butyl 4-phenyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
CID 22741767
4-methyl-4-phenyl-1-prop-1-en-2-ylpiperidine
CID 145156044

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 4-methyl-4-phenylpiperidine-1-carboxylate?
The IUPAC name of 2-methylbutan-2-yl 4-methyl-4-phenylpiperidine-1-carboxylate (CID 174192661) is 2-methylbutan-2-yl 4-methyl-4-phenylpiperidine-1-carboxylate.
What is the SMILES notation for 2-methylbutan-2-yl 4-methyl-4-phenylpiperidine-1-carboxylate?
The canonical SMILES for 2-methylbutan-2-yl 4-methyl-4-phenylpiperidine-1-carboxylate is CCC(C)(C)OC(=O)N1CCC(C)(c2ccccc2)CC1.
What is the InChIKey of 2-methylbutan-2-yl 4-methyl-4-phenylpiperidine-1-carboxylate?
The InChIKey is XGBMIWYYEYKPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-5-17(2,3)21-16(20)19-13-11-18(4,12-14-19)15-9-7-6-8-10-15/h6-10H,5,11-14H2,1-4H3.
What are the key properties of 2-methylbutan-2-yl 4-methyl-4-phenylpiperidine-1-carboxylate?
2-methylbutan-2-yl 4-methyl-4-phenylpiperidine-1-carboxylate has a molecular weight of 289.42 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 4-methyl-4-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 174192661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).