tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate

C17H26N2O2 — CID 174174191

IUPACtert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCc2ccncc2)CC1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-12-8-15(9-13-19)5-4-14-6-10-18-11-7-14/h6-7,10-11,15H,4-5,8-9,12-13H2,1-3H3
InChIKeyBKLNKUBLABJIOH-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.66
Rot. Bonds3

About tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate

tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate (PubChem CID 174174191) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate
PubChem CID174174191
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCc2ccncc2)CC1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-12-8-15(9-13-19)5-4-14-6-10-18-11-7-14/h6-7,10-11,15H,4-5,8-9,12-13H2,1-3H3
InChIKeyBKLNKUBLABJIOH-UHFFFAOYSA-N
XLogP3.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 65142715
tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine
CID 123647865
tert-butyl 4-[2-(4-cyclopropylphenyl)ethyl]piperidine-1-carboxylate
CID 134385902
tert-butyl 3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 170629812
tert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate
CID 66509368
tert-butyl 4-[dideuterio(pyridin-4-ylmethoxy)methyl]piperidine-1-carboxylate
CID 170943001
tert-butyl 4-[2-(4-ethynylphenyl)ethyl]piperidine-1-carboxylate
CID 118525540
tert-butyl 4-(2-pyridin-4-ylethyl)piperazine-1-carboxylate
CID 22321631
tert-butyl (3S)-3-(pyridin-4-ylmethoxymethyl)pyrrolidine-1-carboxylate
CID 97171377
tert-butyl (3S)-3-[(pyridin-4-ylmethylamino)methyl]pyrrolidine-1-carboxylate
CID 10493804
tert-butyl 4-(3-pyridin-4-ylpropylsulfanylcarbonyl)piperidine-1-carboxylate
CID 11617530

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate (CID 174174191) is tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCc2ccncc2)CC1.
What is the InChIKey of tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate?
The InChIKey is BKLNKUBLABJIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-12-8-15(9-13-19)5-4-14-6-10-18-11-7-14/h6-7,10-11,15H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate?
tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 3.66, 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-pyridin-4-ylethyl)piperidine-1-carboxylate is sourced from PubChem (CID 174174191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).