tert-butyl 2-piperidin-4-yl-2H-pyridine-1-carboxylate

C15H24N2O2 — CID 140989412

IUPACtert-butyl 2-piperidin-4-yl-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C=CC=CC1C1CCNCC1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-11-5-4-6-13(17)12-7-9-16-10-8-12/h4-6,11-13,16H,7-10H2,1-3H3
InChIKeyWWHFULRGOXPOIC-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.68
Rot. Bonds1

About tert-butyl 2-piperidin-4-yl-2H-pyridine-1-carboxylate

tert-butyl 2-piperidin-4-yl-2H-pyridine-1-carboxylate (PubChem CID 140989412) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl 2-piperidin-4-yl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-piperidin-4-yl-2H-pyridine-1-carboxylate
PubChem CID140989412
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl 2-piperidin-4-yl-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C=CC=CC1C1CCNCC1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-11-5-4-6-13(17)12-7-9-16-10-8-12/h4-6,11-13,16H,7-10H2,1-3H3
InChIKeyWWHFULRGOXPOIC-UHFFFAOYSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 1,9-diazaspiro(5.5)undec-3-ene-9-carboxylate
CID 44118857
tert-butyl 5-amino-2,3-difluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 67025238
tert-butyl 3-amino-5,6-difluoro-2-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 67025239
tert-butyl 5-amino-2-chloro-3-fluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 67184285
tert-butyl 3-amino-6-chloro-5-fluoro-2-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 67184286
tert-butyl 5-amino-4-fluoro-6-piperidin-4-yl-2-(trifluoromethyl)-2H-pyridine-1-carboxylate
CID 67185011
tert-butyl 3-amino-4-fluoro-2-piperidin-4-yl-6-(trifluoromethyl)-2H-pyridine-1-carboxylate
CID 67185012
tert-butyl 5-fluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 67544136
tert-butyl 3-fluoro-2-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 67544138
tert-butyl 6-piperidin-4-yl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]-2H-pyridine-1-carboxylate
CID 87327342
tert-butyl 2-piperidin-4-yl-6-[[(2,2,2-trifluoroacetyl)amino]methyl]-2H-pyridine-1-carboxylate
CID 87327343
tert-butyl 6-piperidin-4-yl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]-2H-pyridine-1-carboxylate
CID 87327344

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-piperidin-4-yl-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 2-piperidin-4-yl-2H-pyridine-1-carboxylate (CID 140989412) is tert-butyl 2-piperidin-4-yl-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-piperidin-4-yl-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2-piperidin-4-yl-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1C=CC=CC1C1CCNCC1.
What is the InChIKey of tert-butyl 2-piperidin-4-yl-2H-pyridine-1-carboxylate?
The InChIKey is WWHFULRGOXPOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-11-5-4-6-13(17)12-7-9-16-10-8-12/h4-6,11-13,16H,7-10H2,1-3H3.
What are the key properties of tert-butyl 2-piperidin-4-yl-2H-pyridine-1-carboxylate?
tert-butyl 2-piperidin-4-yl-2H-pyridine-1-carboxylate has a molecular weight of 264.37 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-piperidin-4-yl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 140989412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).