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

C16H25N3O2 — CID 63329515

IUPACtert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
SMILESCc1ccncc1NC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H25N3O2/c1-12-7-8-17-10-14(12)18-13-6-5-9-19(11-13)15(20)21-16(2,3)4/h7-8,10,13,18H,5-6,9,11H2,1-4H3
InChIKeyKQMUSOAONTUFEW-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.20
Rot. Bonds2

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

tert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate (PubChem CID 63329515) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
PubChem CID63329515
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Nametert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
SMILESCc1ccncc1NC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H25N3O2/c1-12-7-8-17-10-14(12)18-13-6-5-9-19(11-13)15(20)21-16(2,3)4/h7-8,10,13,18H,5-6,9,11H2,1-4H3
InChIKeyKQMUSOAONTUFEW-UHFFFAOYSA-N
XLogP3.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(4-methyl-3-pyridinyl)amino]azepane-1-carboxylate
CID 103982125
tert-butyl 3-(4-bromo-2-methylanilino)piperidine-1-carboxylate
CID 103648700
tert-butyl N-[4-[(4-methyl-3-pyridinyl)amino]cyclohexyl]carbamate
CID 103715526
tert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 26385053
tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933973
tert-butyl (3R)-3-[(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933931
tert-butyl (3S)-3-(2-bromoanilino)piperidine-1-carboxylate
CID 97056734
tert-butyl 3-(3-chloro-2-methylanilino)piperidine-1-carboxylate
CID 103648698
tert-butyl (3S)-3-[(2-chloro-5-formyl-4-pyridinyl)amino]piperidine-1-carboxylate
CID 166590506
tert-butyl 3-[(3-nitro-4-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 129032001
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl 3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]piperidine-1-carboxylate
CID 103910160

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate (CID 63329515) is tert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate is Cc1ccncc1NC1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate?
The InChIKey is KQMUSOAONTUFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-7-8-17-10-14(12)18-13-6-5-9-19(11-13)15(20)21-16(2,3)4/h7-8,10,13,18H,5-6,9,11H2,1-4H3.
What are the key properties of tert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate?
tert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 63329515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).