tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate

C15H22N2O2 — CID 164734560

IUPACtert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2ccncc2)C1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-4-5-13(11-17)12-6-8-16-9-7-12/h6-9,13H,4-5,10-11H2,1-3H3
InChIKeyHYGRZLYEKKRSBO-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.20
Rot. Bonds1

About tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate

tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate (PubChem CID 164734560) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
PubChem CID164734560
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2ccncc2)C1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-4-5-13(11-17)12-6-8-16-9-7-12/h6-9,13H,4-5,10-11H2,1-3H3
InChIKeyHYGRZLYEKKRSBO-UHFFFAOYSA-N
XLogP3.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate
CID 135135280
tert-butyl 3-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxylate
CID 168512802
tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate
CID 163238292
tert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]carbamate
CID 122158230
tert-butyl 3-[4-(2-methoxy-2-oxoethoxy)phenyl]piperidine-1-carboxylate
CID 139730433
tert-butyl (3R,4R)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate
CID 97357623
tert-butyl 3-(4-tert-butylphenyl)pyrrolidine-1-carboxylate
CID 169495150
tert-butyl 3-(3-phenylazepane-1-carbonyl)piperidine-1-carboxylate
CID 121146182
tert-butyl 3-(pyridin-4-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51253317
3-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-2-pyridinyl]benzoic acid
CID 175660564

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate (CID 164734560) is tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(c2ccncc2)C1.
What is the InChIKey of tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate?
The InChIKey is HYGRZLYEKKRSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-4-5-13(11-17)12-6-8-16-9-7-12/h6-9,13H,4-5,10-11H2,1-3H3.
What are the key properties of tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate?
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate is sourced from PubChem (CID 164734560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).