tert-butyl 4-[[6-(5-chloro-2-pyridinyl)-2-pyridinyl]methyl]piperidine-1-carboxylate

C21H26ClN3O2 — CID 175281835

IUPACtert-butyl 4-[[6-(5-chloro-2-pyridinyl)-2-pyridinyl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2cccc(-c3ccc(Cl)cn3)n2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-21(2,3)27-20(26)25-11-9-15(10-12-25)13-17-5-4-6-19(24-17)18-8-7-16(22)14-23-18/h4-8,14-15H,9-13H2,1-3H3
InChIKeyLUVUQSIQOGJABU-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.99
Rot. Bonds3

About tert-butyl 4-[[6-(5-chloro-2-pyridinyl)-2-pyridinyl]methyl]piperidine-1-carboxylate

tert-butyl 4-[[6-(5-chloro-2-pyridinyl)-2-pyridinyl]methyl]piperidine-1-carboxylate (PubChem CID 175281835) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is tert-butyl 4-[[6-(5-chloro-2-pyridinyl)-2-pyridinyl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[6-(5-chloro-2-pyridinyl)-2-pyridinyl]methyl]piperidine-1-carboxylate
PubChem CID175281835
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Nametert-butyl 4-[[6-(5-chloro-2-pyridinyl)-2-pyridinyl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2cccc(-c3ccc(Cl)cn3)n2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-21(2,3)27-20(26)25-11-9-15(10-12-25)13-17-5-4-6-19(24-17)18-8-7-16(22)14-23-18/h4-8,14-15H,9-13H2,1-3H3
InChIKeyLUVUQSIQOGJABU-UHFFFAOYSA-N
XLogP4.99
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[6-[(4-chloro-2-fluorobenzoyl)amino]-2-pyridinyl]methyl]piperidine-1-carboxylate
CID 156741888
tert-butyl 4-[(2-chloro-3-fluorophenyl)methyl]piperidine-1-carboxylate
CID 167313825
tert-butyl 4-[2-(5-chloropyrimidin-2-yl)oxyethyl]piperidine-1-carboxylate
CID 71630074
3-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]methyl]pyrazin-2-yl]benzoic acid
CID 175660541
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 175656484
tert-butyl 4-[(5-chloropyrimidin-2-yl)sulfanylmethyl]piperidine-1-carboxylate
CID 71303122
tert-butyl 4-[(5-phenylmethoxy-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 171082980
tert-butyl (3S)-3-[(5-chloropyrimidin-2-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 97171281
4-[[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]piperidine-1-carboxylic acid
CID 90994258
tert-butyl (3S)-3-[(5-chloro-4-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxylate
CID 157407419
tert-butyl 4-[1-(5-chloro-2-pyridinyl)pyrazol-3-yl]piperidine-1-carboxylate
CID 118166904

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[6-(5-chloro-2-pyridinyl)-2-pyridinyl]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[6-(5-chloro-2-pyridinyl)-2-pyridinyl]methyl]piperidine-1-carboxylate (CID 175281835) is tert-butyl 4-[[6-(5-chloro-2-pyridinyl)-2-pyridinyl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[6-(5-chloro-2-pyridinyl)-2-pyridinyl]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[6-(5-chloro-2-pyridinyl)-2-pyridinyl]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Cc2cccc(-c3ccc(Cl)cn3)n2)CC1.
What is the InChIKey of tert-butyl 4-[[6-(5-chloro-2-pyridinyl)-2-pyridinyl]methyl]piperidine-1-carboxylate?
The InChIKey is LUVUQSIQOGJABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-21(2,3)27-20(26)25-11-9-15(10-12-25)13-17-5-4-6-19(24-17)18-8-7-16(22)14-23-18/h4-8,14-15H,9-13H2,1-3H3.
What are the key properties of tert-butyl 4-[[6-(5-chloro-2-pyridinyl)-2-pyridinyl]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[6-(5-chloro-2-pyridinyl)-2-pyridinyl]methyl]piperidine-1-carboxylate has a molecular weight of 387.91 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[6-(5-chloro-2-pyridinyl)-2-pyridinyl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 175281835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).