tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate

C16H25N3O2 — CID 95257239

IUPACtert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1ccccn1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-11-7-5-8-13(19)12-18-14-9-4-6-10-17-14/h4,6,9-10,13H,5,7-8,11-12H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyRZURKQRKOAQWKR-CYBMUJFWSA-N
MW291.39 g/mol
LogP3.28
Rot. Bonds3

About tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate

tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate (PubChem CID 95257239) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate
PubChem CID95257239
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Nametert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1ccccn1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-11-7-5-8-13(19)12-18-14-9-4-6-10-17-14/h4,6,9-10,13H,5,7-8,11-12H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyRZURKQRKOAQWKR-CYBMUJFWSA-N
XLogP3.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 97172694
tert-butyl 2-[[(4-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 71634391
tert-butyl 2-[(quinolin-2-ylamino)methyl]piperidine-1-carboxylate
CID 86593668
tert-butyl 2-[[(2-methyl-3-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 106634097
tert-butyl (2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carboxylate
CID 170977694
tert-butyl (2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176737
tert-butyl (2R)-2-[(pyrazin-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 97172702
tert-butyl (2S)-2-[[(5-cyano-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 91203490
tert-butyl 2-[[(5-bromo-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 67090767
tert-butyl 2-[[(3-chloroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 71631697
tert-butyl 2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carboxylate;ethane
CID 155735409
tert-butyl 2-[3-(2-oxo-2-pyridin-2-ylethoxy)propyl]piperidine-1-carboxylate
CID 71631587

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate (CID 95257239) is tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1ccccn1.
What is the InChIKey of tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate?
The InChIKey is RZURKQRKOAQWKR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-11-7-5-8-13(19)12-18-14-9-4-6-10-17-14/h4,6,9-10,13H,5,7-8,11-12H2,1-3H3,(H,17,18)/t13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 95257239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).