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

C16H25N3O2 — CID 26385053

IUPACtert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
SMILESCc1ccnc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C16H25N3O2/c1-12-7-8-17-14(10-12)18-13-6-5-9-19(11-13)15(20)21-16(2,3)4/h7-8,10,13H,5-6,9,11H2,1-4H3,(H,17,18)/t13-/m0/s1
InChIKeyPTCICBFKIBOHOI-ZDUSSCGKSA-N
MW291.39 g/mol
LogP3.20
Rot. Bonds2

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

tert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate (PubChem CID 26385053) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
PubChem CID26385053
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Nametert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
SMILESCc1ccnc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C16H25N3O2/c1-12-7-8-17-14(10-12)18-13-6-5-9-19(11-13)15(20)21-16(2,3)4/h7-8,10,13H,5-6,9,11H2,1-4H3,(H,17,18)/t13-/m0/s1
InChIKeyPTCICBFKIBOHOI-ZDUSSCGKSA-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

N-(azetidin-3-yl)-4-methylpyridin-2-amine;tert-butyl 3-[(4-methyl-2-pyridinyl)amino]azetidine-1-carboxylate
CID 157219072
tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 41083455
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]pyridine-4-carboxylic acid
CID 118918262
tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933973
tert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 63329515
tert-butyl 3-[[5-(hydroxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 150009330
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl 3-(3,4-dichloroanilino)piperidine-1-carboxylate
CID 103648711
tert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 97114475
tert-butyl (3R)-3-[(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933931
tert-butyl 3-(4-bromo-3,5-dimethylanilino)piperidine-1-carboxylate
CID 107572267
tert-butyl (3S)-3-(2-bromoanilino)piperidine-1-carboxylate
CID 97056734

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate (CID 26385053) is tert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate is Cc1ccnc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate?
The InChIKey is PTCICBFKIBOHOI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-7-8-17-14(10-12)18-13-6-5-9-19(11-13)15(20)21-16(2,3)4/h7-8,10,13H,5-6,9,11H2,1-4H3,(H,17,18)/t13-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate?
tert-butyl (3S)-3-[(4-methyl-2-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 (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 26385053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).