tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate

C19H29N3O2 — CID 163230097

IUPACtert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cccc(N3CCCC3)n2)CC1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)24-18(23)22-13-9-15(10-14-22)16-7-6-8-17(20-16)21-11-4-5-12-21/h6-8,15H,4-5,9-14H2,1-3H3
InChIKeyMUWMHQKTOIFNNJ-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.80
Rot. Bonds2

About tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate

tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate (PubChem CID 163230097) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
PubChem CID163230097
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Nametert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cccc(N3CCCC3)n2)CC1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)24-18(23)22-13-9-15(10-14-22)16-7-6-8-17(20-16)21-11-4-5-12-21/h6-8,15H,4-5,9-14H2,1-3H3
InChIKeyMUWMHQKTOIFNNJ-UHFFFAOYSA-N
XLogP3.80
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230393
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
CID 46839930
tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate
CID 162748495
tert-butyl 4-(6-acetyl-2-pyridinyl)piperazine-1-carboxylate
CID 168933947
tert-butyl 4-[6-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]piperazine-1-carboxylate
CID 57444915
tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate
CID 168797696
tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate
CID 118960889
tert-butyl 4-[6-(4-methoxypiperidin-1-yl)pyridazin-3-yl]piperidine-1-carboxylate
CID 170182115

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate (CID 163230097) is tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cccc(N3CCCC3)n2)CC1.
What is the InChIKey of tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate?
The InChIKey is MUWMHQKTOIFNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-19(2,3)24-18(23)22-13-9-15(10-14-22)16-7-6-8-17(20-16)21-11-4-5-12-21/h6-8,15H,4-5,9-14H2,1-3H3.
What are the key properties of tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate?
tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate has a molecular weight of 331.46 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 163230097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).