methyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate

C18H27NO2 — CID 102294238

IUPACmethyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate
SMILESCOC(=O)C(c1ccc(C(C)(C)C)cc1)N1CCCCC1
InChIInChI=1S/C18H27NO2/c1-18(2,3)15-10-8-14(9-11-15)16(17(20)21-4)19-12-6-5-7-13-19/h8-11,16H,5-7,12-13H2,1-4H3
InChIKeyCVXKEWXALXXEFB-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.68
Rot. Bonds3

About methyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate

methyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate (PubChem CID 102294238) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is methyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate.

Molecular Properties

Compound Namemethyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate
PubChem CID102294238
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Namemethyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate
SMILESCOC(=O)C(c1ccc(C(C)(C)C)cc1)N1CCCCC1
InChIInChI=1S/C18H27NO2/c1-18(2,3)15-10-8-14(9-11-15)16(17(20)21-4)19-12-6-5-7-13-19/h8-11,16H,5-7,12-13H2,1-4H3
InChIKeyCVXKEWXALXXEFB-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460
methyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate
CID 116860560
methyl 2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylacetate
CID 116860526
methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate
CID 116860463
tert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride
CID 117066829
methyl 2-(1,3-benzoxazol-6-yl)-2-pyrrolidin-1-ylacetate
CID 116860541
methyl 2-(4-chlorophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 54890533
methyl 2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetate
CID 86879116
2-piperidin-1-yl-2-(4-propan-2-ylphenyl)acetamide
CID 82121488
(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid
CID 40787042
4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid
CID 22353154
2-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid
CID 84751205

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate?
The IUPAC name of methyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate (CID 102294238) is methyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate.
What is the SMILES notation for methyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate?
The canonical SMILES for methyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate is COC(=O)C(c1ccc(C(C)(C)C)cc1)N1CCCCC1.
What is the InChIKey of methyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate?
The InChIKey is CVXKEWXALXXEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2,3)15-10-8-14(9-11-15)16(17(20)21-4)19-12-6-5-7-13-19/h8-11,16H,5-7,12-13H2,1-4H3.
What are the key properties of methyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate?
methyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate has a molecular weight of 289.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate is sourced from PubChem (CID 102294238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).