tert-butyl 2-[[(3-methyl-4-pyridinyl)methylamino]methyl]piperidine-1-carboxylate

C18H29N3O2 — CID 106634508

IUPACtert-butyl 2-[[(3-methyl-4-pyridinyl)methylamino]methyl]piperidine-1-carboxylate
SMILESCc1cnccc1CNCC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H29N3O2/c1-14-11-19-9-8-15(14)12-20-13-16-7-5-6-10-21(16)17(22)23-18(2,3)4/h8-9,11,16,20H,5-7,10,12-13H2,1-4H3
InChIKeySYQKXJZTSSILPQ-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.27
Rot. Bonds4

About tert-butyl 2-[[(3-methyl-4-pyridinyl)methylamino]methyl]piperidine-1-carboxylate

tert-butyl 2-[[(3-methyl-4-pyridinyl)methylamino]methyl]piperidine-1-carboxylate (PubChem CID 106634508) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl 2-[[(3-methyl-4-pyridinyl)methylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[(3-methyl-4-pyridinyl)methylamino]methyl]piperidine-1-carboxylate
PubChem CID106634508
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Nametert-butyl 2-[[(3-methyl-4-pyridinyl)methylamino]methyl]piperidine-1-carboxylate
SMILESCc1cnccc1CNCC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H29N3O2/c1-14-11-19-9-8-15(14)12-20-13-16-7-5-6-10-21(16)17(22)23-18(2,3)4/h8-9,11,16,20H,5-7,10,12-13H2,1-4H3
InChIKeySYQKXJZTSSILPQ-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[[(4-methyl-3-pyridinyl)methylamino]methyl]piperidine-1-carboxylate
CID 106634517
tert-butyl (2R)-2-[(pyridin-4-ylmethylamino)methyl]pyrrolidine-1-carboxylate
CID 97172788
tert-butyl 2-[[(5-methylpyrazin-2-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103778032
tert-butyl (2R)-2-[[(2-bromophenyl)methylamino]methyl]piperidine-1-carboxylate
CID 97056784
tert-butyl (2R)-2-[(pyrazin-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate
CID 97172794
2-methyl-5-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methylamino]methyl]-1H-pyrrole-3-carboxylic acid
CID 114273622
tert-butyl 2-[[(3-ethylimidazol-4-yl)methylamino]methyl]piperidine-1-carboxylate
CID 107246802
tert-butyl 2-[[(2-chloropyrimidin-4-yl)methylamino]methyl]piperidine-1-carboxylate
CID 71631733
tert-butyl 2-[[(2,3-dichlorophenyl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 107248989
tert-butyl 2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 106637826
tert-butyl (2S)-2-[[(2,4-dichloropyrimidin-5-yl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 97172791
tert-butyl 2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103698775

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(3-methyl-4-pyridinyl)methylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[(3-methyl-4-pyridinyl)methylamino]methyl]piperidine-1-carboxylate (CID 106634508) is tert-butyl 2-[[(3-methyl-4-pyridinyl)methylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[(3-methyl-4-pyridinyl)methylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[(3-methyl-4-pyridinyl)methylamino]methyl]piperidine-1-carboxylate is Cc1cnccc1CNCC1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[(3-methyl-4-pyridinyl)methylamino]methyl]piperidine-1-carboxylate?
The InChIKey is SYQKXJZTSSILPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14-11-19-9-8-15(14)12-20-13-16-7-5-6-10-21(16)17(22)23-18(2,3)4/h8-9,11,16,20H,5-7,10,12-13H2,1-4H3.
What are the key properties of tert-butyl 2-[[(3-methyl-4-pyridinyl)methylamino]methyl]piperidine-1-carboxylate?
tert-butyl 2-[[(3-methyl-4-pyridinyl)methylamino]methyl]piperidine-1-carboxylate has a molecular weight of 319.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(3-methyl-4-pyridinyl)methylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 106634508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).