tert-butyl 4-[[2-(3-methyl-2-pyridinyl)phenyl]methyl]piperidine-1-carboxylate

C23H30N2O2 — CID 170633546

IUPACtert-butyl 4-[[2-(3-methyl-2-pyridinyl)phenyl]methyl]piperidine-1-carboxylate
SMILESCc1cccnc1-c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H30N2O2/c1-17-8-7-13-24-21(17)20-10-6-5-9-19(20)16-18-11-14-25(15-12-18)22(26)27-23(2,3)4/h5-10,13,18H,11-12,14-16H2,1-4H3
InChIKeyYFFXRXJJLYTXOQ-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.25
Rot. Bonds3

About tert-butyl 4-[[2-(3-methyl-2-pyridinyl)phenyl]methyl]piperidine-1-carboxylate

tert-butyl 4-[[2-(3-methyl-2-pyridinyl)phenyl]methyl]piperidine-1-carboxylate (PubChem CID 170633546) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is tert-butyl 4-[[2-(3-methyl-2-pyridinyl)phenyl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-(3-methyl-2-pyridinyl)phenyl]methyl]piperidine-1-carboxylate
PubChem CID170633546
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Nametert-butyl 4-[[2-(3-methyl-2-pyridinyl)phenyl]methyl]piperidine-1-carboxylate
SMILESCc1cccnc1-c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H30N2O2/c1-17-8-7-13-24-21(17)20-10-6-5-9-19(20)16-18-11-14-25(15-12-18)22(26)27-23(2,3)4/h5-10,13,18H,11-12,14-16H2,1-4H3
InChIKeyYFFXRXJJLYTXOQ-UHFFFAOYSA-N
XLogP5.25
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Loratadine
CID 3957
(+-)-Dimethindene
CID 21855
Pheniramine
CID 4761
Azatadine
CID 19861
Azatadine Maleate
CID 5281066
Dimetindene, (R)-
CID 12963076
(+)-Dimethindene
CID 6604866
Pheniramine N-oxide
CID 222605
Lopac-P-6902
CID 667440
Deschloro Loratadine
CID 12884174
N-methyl-N-(2-methylbenzyl)-2-pyridin-2-ylethanamine
CID 16193172
(E)-3-(4-(5-pentylpyridin-2-yl)phenyl)-1-(piperidin-1-yl)prop-2-en-1-one
CID 5942248

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-(3-methyl-2-pyridinyl)phenyl]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-(3-methyl-2-pyridinyl)phenyl]methyl]piperidine-1-carboxylate (CID 170633546) is tert-butyl 4-[[2-(3-methyl-2-pyridinyl)phenyl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-(3-methyl-2-pyridinyl)phenyl]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-(3-methyl-2-pyridinyl)phenyl]methyl]piperidine-1-carboxylate is Cc1cccnc1-c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[2-(3-methyl-2-pyridinyl)phenyl]methyl]piperidine-1-carboxylate?
The InChIKey is YFFXRXJJLYTXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17-8-7-13-24-21(17)20-10-6-5-9-19(20)16-18-11-14-25(15-12-18)22(26)27-23(2,3)4/h5-10,13,18H,11-12,14-16H2,1-4H3.
What are the key properties of tert-butyl 4-[[2-(3-methyl-2-pyridinyl)phenyl]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[2-(3-methyl-2-pyridinyl)phenyl]methyl]piperidine-1-carboxylate has a molecular weight of 366.51 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-(3-methyl-2-pyridinyl)phenyl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 170633546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).