tert-butyl 2-[2-amino-2-(4-chloro-2-pyridinyl)ethyl]piperidine-1-carboxylate

C17H26ClN3O2 — CID 175947511

IUPACtert-butyl 2-[2-amino-2-(4-chloro-2-pyridinyl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CC(N)c1cc(Cl)ccn1
InChIInChI=1S/C17H26ClN3O2/c1-17(2,3)23-16(22)21-9-5-4-6-13(21)11-14(19)15-10-12(18)7-8-20-15/h7-8,10,13-14H,4-6,9,11,19H2,1-3H3
InChIKeyWOMJUQIFKMJSQP-UHFFFAOYSA-N
MW339.87 g/mol
LogP3.91
Rot. Bonds3

About tert-butyl 2-[2-amino-2-(4-chloro-2-pyridinyl)ethyl]piperidine-1-carboxylate

tert-butyl 2-[2-amino-2-(4-chloro-2-pyridinyl)ethyl]piperidine-1-carboxylate (PubChem CID 175947511) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is tert-butyl 2-[2-amino-2-(4-chloro-2-pyridinyl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-amino-2-(4-chloro-2-pyridinyl)ethyl]piperidine-1-carboxylate
PubChem CID175947511
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Nametert-butyl 2-[2-amino-2-(4-chloro-2-pyridinyl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CC(N)c1cc(Cl)ccn1
InChIInChI=1S/C17H26ClN3O2/c1-17(2,3)23-16(22)21-9-5-4-6-13(21)11-14(19)15-10-12(18)7-8-20-15/h7-8,10,13-14H,4-6,9,11,19H2,1-3H3
InChIKeyWOMJUQIFKMJSQP-UHFFFAOYSA-N
XLogP3.91
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
CID 79549369
tert-butyl 2-[(2-chloropyrimidin-4-yl)oxymethyl]piperidine-1-carboxylate
CID 71631756
tert-butyl (2R)-2-[2-(2-chloropyrimidin-4-yl)oxyethyl]piperidine-1-carboxylate
CID 97173304
tert-butyl (2S)-2-[(2S)-2-(4-chloro-2-pyridinyl)-2-[[5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbonyl]amino]ethyl]piperidine-1-carboxylate
CID 175947527
tert-butyl (2S)-2-[(4-chloropyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97173570
tert-butyl (2R)-2-[(4-chloropyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97173569
tert-butyl (2S)-2-[(6-chloropyrimidin-4-yl)oxymethyl]piperidine-1-carboxylate
CID 97173580
tert-butyl 2-[[(4-chloropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 71631683
tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
CID 84715449
tert-butyl (2S)-2-[[(R)-(2-chloropyrimidin-4-yl)sulfinyl]methyl]piperidine-1-carboxylate
CID 97173774
tert-butyl (2R)-2-[2-(4-chloropyrimidin-2-yl)oxyethyl]piperidine-1-carboxylate
CID 97173318
tert-butyl (2S)-2-[(2-chloropyrimidin-4-yl)methoxymethyl]piperidine-1-carboxylate
CID 97173670

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-amino-2-(4-chloro-2-pyridinyl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-amino-2-(4-chloro-2-pyridinyl)ethyl]piperidine-1-carboxylate (CID 175947511) is tert-butyl 2-[2-amino-2-(4-chloro-2-pyridinyl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-amino-2-(4-chloro-2-pyridinyl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-amino-2-(4-chloro-2-pyridinyl)ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CC(N)c1cc(Cl)ccn1.
What is the InChIKey of tert-butyl 2-[2-amino-2-(4-chloro-2-pyridinyl)ethyl]piperidine-1-carboxylate?
The InChIKey is WOMJUQIFKMJSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-17(2,3)23-16(22)21-9-5-4-6-13(21)11-14(19)15-10-12(18)7-8-20-15/h7-8,10,13-14H,4-6,9,11,19H2,1-3H3.
What are the key properties of tert-butyl 2-[2-amino-2-(4-chloro-2-pyridinyl)ethyl]piperidine-1-carboxylate?
tert-butyl 2-[2-amino-2-(4-chloro-2-pyridinyl)ethyl]piperidine-1-carboxylate has a molecular weight of 339.87 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-amino-2-(4-chloro-2-pyridinyl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 175947511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).