tert-butyl (2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxylate

C18H28N2O2 — CID 163906007

IUPACtert-butyl (2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxylate
SMILESCc1cc(C[C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)ccn1
InChIInChI=1S/C18H28N2O2/c1-13-10-15(8-9-19-13)11-16-7-6-14(2)20(12-16)17(21)22-18(3,4)5/h8-10,14,16H,6-7,11-12H2,1-5H3/t14-,16+/m0/s1
InChIKeyWZBLWBQKTSOFNB-GOEBONIOSA-N
MW304.43 g/mol
LogP3.97
Rot. Bonds2

About tert-butyl (2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxylate

tert-butyl (2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxylate (PubChem CID 163906007) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl (2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxylate
PubChem CID163906007
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl (2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxylate
SMILESCc1cc(C[C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)ccn1
InChIInChI=1S/C18H28N2O2/c1-13-10-15(8-9-19-13)11-16-7-6-14(2)20(12-16)17(21)22-18(3,4)5/h8-10,14,16H,6-7,11-12H2,1-5H3/t14-,16+/m0/s1
InChIKeyWZBLWBQKTSOFNB-GOEBONIOSA-N
XLogP3.97
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R,5S)-5-(hydroxymethyl)-2-methylpiperidine-1-carboxylate
CID 59277644
tert-butyl (2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidine-1-carboxylate
CID 58332758
tert-butyl (2S,5S)-2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate
CID 91188550
tert-butyl (2R,5R)-2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate
CID 59277671
tert-butyl 5-[(3-methoxy-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylate
CID 123997862
(2S,5S)-5-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 90085923
(5R)-5-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 154705485
tert-butyl 3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 170629812
tert-butyl (3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidine-1-carboxylate
CID 146286115
(5S)-5-[(4-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 53487662
methyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyridine-2-carboxylate
CID 164602310
tert-butyl (5S)-5-[[2-(4-chloro-2,6-difluorophenoxy)-3-pyridinyl]oxymethyl]-2-methylpiperidine-1-carboxylate
CID 68594834

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxylate (CID 163906007) is tert-butyl (2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxylate is Cc1cc(C[C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)ccn1.
What is the InChIKey of tert-butyl (2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxylate?
The InChIKey is WZBLWBQKTSOFNB-GOEBONIOSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13-10-15(8-9-19-13)11-16-7-6-14(2)20(12-16)17(21)22-18(3,4)5/h8-10,14,16H,6-7,11-12H2,1-5H3/t14-,16+/m0/s1.
What are the key properties of tert-butyl (2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxylate?
tert-butyl (2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxylate has a molecular weight of 304.43 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 163906007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).