tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate

C17H27N3O2 — CID 140933973

IUPACtert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
SMILESCc1cnc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1
InChIInChI=1S/C17H27N3O2/c1-12-9-13(2)15(18-10-12)19-14-7-6-8-20(11-14)16(21)22-17(3,4)5/h9-10,14H,6-8,11H2,1-5H3,(H,18,19)/t14-/m1/s1
InChIKeyQXFQZNBJDFMFKP-CQSZACIVSA-N
MW305.42 g/mol
LogP3.51
Rot. Bonds2

About tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate

tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate (PubChem CID 140933973) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
PubChem CID140933973
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
SMILESCc1cnc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1
InChIInChI=1S/C17H27N3O2/c1-12-9-13(2)15(18-10-12)19-14-7-6-8-20(11-14)16(21)22-17(3,4)5/h9-10,14H,6-8,11H2,1-5H3,(H,18,19)/t14-/m1/s1
InChIKeyQXFQZNBJDFMFKP-CQSZACIVSA-N
XLogP3.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-[(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933931
tert-butyl (3R,4R)-3-[(3,5-dimethyl-2-pyridinyl)amino]-4-hydroxypyrrolidine-1-carboxylate
CID 134494361
tert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 26385053
tert-butyl 3-(4-bromo-3,5-dimethylanilino)piperidine-1-carboxylate
CID 107572267
ethyl 5-chloro-6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyridine-3-carboxylate
CID 68960873
tert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 63329515
tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate
CID 67958593
tert-butyl 3-(4-bromo-2-methylanilino)piperidine-1-carboxylate
CID 103648700
tert-butyl 3-(3,5-difluoroanilino)piperidine-1-carboxylate
CID 103625864
tert-butyl 3-(3,4-dichloroanilino)piperidine-1-carboxylate
CID 103648711
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl (3S)-3-[(3-chloroquinoxalin-2-yl)amino]piperidine-1-carboxylate
CID 71630538

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate (CID 140933973) is tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate is Cc1cnc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1.
What is the InChIKey of tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate?
The InChIKey is QXFQZNBJDFMFKP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-9-13(2)15(18-10-12)19-14-7-6-8-20(11-14)16(21)22-17(3,4)5/h9-10,14H,6-8,11H2,1-5H3,(H,18,19)/t14-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 140933973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).