tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate

C22H28N2O2 — CID 170633547

IUPACtert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate
SMILESCc1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccccn1
InChIInChI=1S/C22H28N2O2/c1-16-8-7-9-18(20(16)19-10-5-6-13-23-19)17-11-14-24(15-12-17)21(25)26-22(2,3)4/h5-10,13,17H,11-12,14-15H2,1-4H3
InChIKeyQUZAJEZZGCEJAO-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.17
Rot. Bonds2

About tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate

tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate (PubChem CID 170633547) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate
PubChem CID170633547
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Nametert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate
SMILESCc1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccccn1
InChIInChI=1S/C22H28N2O2/c1-16-8-7-9-18(20(16)19-10-5-6-13-23-19)17-11-14-24(15-12-17)21(25)26-22(2,3)4/h5-10,13,17H,11-12,14-15H2,1-4H3
InChIKeyQUZAJEZZGCEJAO-UHFFFAOYSA-N
XLogP5.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
CID 54773193
tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
CID 153338980
tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate
CID 178017330
tert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate
CID 121426164
2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 171362038
tert-butyl 4-[4-(2-methylphenyl)-2-pyridin-2-ylphenoxy]piperidine-1-carboxylate
CID 175122139
tert-butyl 4-(2-benzylphenyl)piperidine-1-carboxylate
CID 21193104
tert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate
CID 143790491
tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate
CID 59141009
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
CID 130377896

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate (CID 170633547) is tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate is Cc1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccccn1.
What is the InChIKey of tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate?
The InChIKey is QUZAJEZZGCEJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-8-7-9-18(20(16)19-10-5-6-13-23-19)17-11-14-24(15-12-17)21(25)26-22(2,3)4/h5-10,13,17H,11-12,14-15H2,1-4H3.
What are the key properties of tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate?
tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate has a molecular weight of 352.48 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 170633547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).