tert-butyl 3-[(1-pyridin-2-ylethylamino)methyl]piperidine-1-carboxylate

C18H29N3O2 — CID 71633609

IUPACtert-butyl 3-[(1-pyridin-2-ylethylamino)methyl]piperidine-1-carboxylate
SMILESCC(NCC1CCCN(C(=O)OC(C)(C)C)C1)c1ccccn1
InChIInChI=1S/C18H29N3O2/c1-14(16-9-5-6-10-19-16)20-12-15-8-7-11-21(13-15)17(22)23-18(2,3)4/h5-6,9-10,14-15,20H,7-8,11-13H2,1-4H3
InChIKeyZDTZUQWKDOLGOK-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.38
Rot. Bonds4

About tert-butyl 3-[(1-pyridin-2-ylethylamino)methyl]piperidine-1-carboxylate

tert-butyl 3-[(1-pyridin-2-ylethylamino)methyl]piperidine-1-carboxylate (PubChem CID 71633609) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl 3-[(1-pyridin-2-ylethylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(1-pyridin-2-ylethylamino)methyl]piperidine-1-carboxylate
PubChem CID71633609
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Nametert-butyl 3-[(1-pyridin-2-ylethylamino)methyl]piperidine-1-carboxylate
SMILESCC(NCC1CCCN(C(=O)OC(C)(C)C)C1)c1ccccn1
InChIInChI=1S/C18H29N3O2/c1-14(16-9-5-6-10-19-16)20-12-15-8-7-11-21(13-15)17(22)23-18(2,3)4/h5-6,9-10,14-15,20H,7-8,11-13H2,1-4H3
InChIKeyZDTZUQWKDOLGOK-UHFFFAOYSA-N
XLogP3.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]piperidine-1-carboxylate
CID 97175773
tert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate
CID 97175876
tert-butyl 3-[2-(1-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate
CID 71633708
tert-butyl 3-[[1-(5-fluoro-2-pyridinyl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 104538150
tert-butyl 3-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 107246560
tert-butyl 3-[[(3-hydroxy-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 71631128
tert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate
CID 71633691
N-(cyclopentylmethyl)-1-pyridin-2-ylethanamine
CID 21279046
tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate
CID 174899378
N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine
CID 21279072
tert-butyl (3S)-3-(pyridin-2-ylsulfanylmethyl)piperidine-1-carboxylate
CID 86331864
tert-butyl (3S)-3-(pyrimidin-2-ylmethyl)piperidine-1-carboxylate
CID 129390877

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(1-pyridin-2-ylethylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(1-pyridin-2-ylethylamino)methyl]piperidine-1-carboxylate (CID 71633609) is tert-butyl 3-[(1-pyridin-2-ylethylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(1-pyridin-2-ylethylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(1-pyridin-2-ylethylamino)methyl]piperidine-1-carboxylate is CC(NCC1CCCN(C(=O)OC(C)(C)C)C1)c1ccccn1.
What is the InChIKey of tert-butyl 3-[(1-pyridin-2-ylethylamino)methyl]piperidine-1-carboxylate?
The InChIKey is ZDTZUQWKDOLGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(16-9-5-6-10-19-16)20-12-15-8-7-11-21(13-15)17(22)23-18(2,3)4/h5-6,9-10,14-15,20H,7-8,11-13H2,1-4H3.
What are the key properties of tert-butyl 3-[(1-pyridin-2-ylethylamino)methyl]piperidine-1-carboxylate?
tert-butyl 3-[(1-pyridin-2-ylethylamino)methyl]piperidine-1-carboxylate has a molecular weight of 319.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(1-pyridin-2-ylethylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 71633609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).