tert-butyl 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]piperidine-1-carboxylate

C17H26ClN3O2 — CID 103910160

IUPACtert-butyl 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]piperidine-1-carboxylate
SMILESCC(Nc1cnccc1Cl)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H26ClN3O2/c1-12(20-15-10-19-8-7-14(15)18)13-6-5-9-21(11-13)16(22)23-17(2,3)4/h7-8,10,12-13,20H,5-6,9,11H2,1-4H3
InChIKeyPYICIAYSDFGVLF-UHFFFAOYSA-N
MW339.87 g/mol
LogP4.18
Rot. Bonds3

About tert-butyl 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]piperidine-1-carboxylate

tert-butyl 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]piperidine-1-carboxylate (PubChem CID 103910160) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is tert-butyl 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]piperidine-1-carboxylate
PubChem CID103910160
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Nametert-butyl 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]piperidine-1-carboxylate
SMILESCC(Nc1cnccc1Cl)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H26ClN3O2/c1-12(20-15-10-19-8-7-14(15)18)13-6-5-9-21(11-13)16(22)23-17(2,3)4/h7-8,10,12-13,20H,5-6,9,11H2,1-4H3
InChIKeyPYICIAYSDFGVLF-UHFFFAOYSA-N
XLogP4.18
TPSA54.46 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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 63329515
tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
CID 103649308
tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 55212997
tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate
CID 142582802
tert-butyl 3-[1-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]piperidine-1-carboxylate
CID 103780304
tert-butyl (3R)-3-[(1R)-1-[[3-chloro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]quinolin-4-yl]amino]ethyl]piperidine-1-carboxylate
CID 140893341
tert-butyl (3S)-3-[(1S)-1-[[3-chloro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]quinolin-4-yl]amino]ethyl]piperidine-1-carboxylate
CID 140893340
tert-butyl 4-[(4-methyl-3-pyridinyl)amino]azepane-1-carboxylate
CID 103982125
tert-butyl 3-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 65312713
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl 3-[1-[1-(1,3-thiazol-4-yl)ethylamino]ethyl]piperidine-1-carboxylate
CID 103881334
2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]ethylamino]acetic acid
CID 63586245

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]piperidine-1-carboxylate (CID 103910160) is tert-butyl 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]piperidine-1-carboxylate is CC(Nc1cnccc1Cl)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]piperidine-1-carboxylate?
The InChIKey is PYICIAYSDFGVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-12(20-15-10-19-8-7-14(15)18)13-6-5-9-21(11-13)16(22)23-17(2,3)4/h7-8,10,12-13,20H,5-6,9,11H2,1-4H3.
What are the key properties of tert-butyl 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]piperidine-1-carboxylate?
tert-butyl 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]piperidine-1-carboxylate has a molecular weight of 339.87 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 103910160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).