tert-butyl (3S)-3-[[[6-(dimethylamino)-3-pyridinyl]methylamino]methyl]piperidine-1-carboxylate

C19H32N4O2 — CID 95307367

IUPACtert-butyl (3S)-3-[[[6-(dimethylamino)-3-pyridinyl]methylamino]methyl]piperidine-1-carboxylate
SMILESCN(C)c1ccc(CNC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1
InChIInChI=1S/C19H32N4O2/c1-19(2,3)25-18(24)23-10-6-7-16(14-23)12-20-11-15-8-9-17(21-13-15)22(4)5/h8-9,13,16,20H,6-7,10-12,14H2,1-5H3/t16-/m0/s1
InChIKeyCTCFMXWIIJFVFW-INIZCTEOSA-N
MW348.49 g/mol
LogP2.88
Rot. Bonds5

About tert-butyl (3S)-3-[[[6-(dimethylamino)-3-pyridinyl]methylamino]methyl]piperidine-1-carboxylate

tert-butyl (3S)-3-[[[6-(dimethylamino)-3-pyridinyl]methylamino]methyl]piperidine-1-carboxylate (PubChem CID 95307367) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is tert-butyl (3S)-3-[[[6-(dimethylamino)-3-pyridinyl]methylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[[[6-(dimethylamino)-3-pyridinyl]methylamino]methyl]piperidine-1-carboxylate
PubChem CID95307367
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Nametert-butyl (3S)-3-[[[6-(dimethylamino)-3-pyridinyl]methylamino]methyl]piperidine-1-carboxylate
SMILESCN(C)c1ccc(CNC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1
InChIInChI=1S/C19H32N4O2/c1-19(2,3)25-18(24)23-10-6-7-16(14-23)12-20-11-15-8-9-17(21-13-15)22(4)5/h8-9,13,16,20H,6-7,10-12,14H2,1-5H3/t16-/m0/s1
InChIKeyCTCFMXWIIJFVFW-INIZCTEOSA-N
XLogP2.88
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3R)-3-[[(4-aminophenyl)methylamino]methyl]piperidine-1-carboxylate
CID 51710070
tert-butyl 3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 79489005
tert-butyl 3-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103275614
tert-butyl (3S)-3-[[(2-chloropyrimidin-4-yl)methylamino]methyl]piperidine-1-carboxylate
CID 97172343
tert-butyl (3S)-3-[(pyridin-4-ylmethylamino)methyl]pyrrolidine-1-carboxylate
CID 10493804
tert-butyl (3S)-3-[[(4-fluorophenyl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 97057086
tert-butyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]piperidine-1-carboxylate
CID 113239053
tert-butyl 3-[[2-(4-fluorophenyl)ethylamino]methyl]piperidine-1-carboxylate
CID 113239051
tert-butyl (3S)-3-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 86329315
tert-butyl 3-[(6-bromo-3-pyridinyl)methylamino]piperidine-1-carboxylate
CID 71630851
tert-butyl 3-[[(6-methoxy-3-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 103759143
tert-butyl 3-[(2H-tetrazol-5-ylmethylamino)methyl]piperidine-1-carboxylate
CID 80547209

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[[[6-(dimethylamino)-3-pyridinyl]methylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[[[6-(dimethylamino)-3-pyridinyl]methylamino]methyl]piperidine-1-carboxylate (CID 95307367) is tert-butyl (3S)-3-[[[6-(dimethylamino)-3-pyridinyl]methylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[[[6-(dimethylamino)-3-pyridinyl]methylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[[[6-(dimethylamino)-3-pyridinyl]methylamino]methyl]piperidine-1-carboxylate is CN(C)c1ccc(CNC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1.
What is the InChIKey of tert-butyl (3S)-3-[[[6-(dimethylamino)-3-pyridinyl]methylamino]methyl]piperidine-1-carboxylate?
The InChIKey is CTCFMXWIIJFVFW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-19(2,3)25-18(24)23-10-6-7-16(14-23)12-20-11-15-8-9-17(21-13-15)22(4)5/h8-9,13,16,20H,6-7,10-12,14H2,1-5H3/t16-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[[[6-(dimethylamino)-3-pyridinyl]methylamino]methyl]piperidine-1-carboxylate?
tert-butyl (3S)-3-[[[6-(dimethylamino)-3-pyridinyl]methylamino]methyl]piperidine-1-carboxylate has a molecular weight of 348.49 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[[[6-(dimethylamino)-3-pyridinyl]methylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 95307367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).