tert-butyl 5-piperidin-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate

C15H26N2O2 — CID 172561153

IUPACtert-butyl 5-piperidin-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C=C(C2CCCNC2)CCC1
InChIInChI=1S/C15H26N2O2/c1-15(2,3)19-14(18)17-9-5-7-13(11-17)12-6-4-8-16-10-12/h11-12,16H,4-10H2,1-3H3
InChIKeyQSVBVBWJGQAHEX-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.90
Rot. Bonds1

About tert-butyl 5-piperidin-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate

tert-butyl 5-piperidin-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 172561153) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is tert-butyl 5-piperidin-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-piperidin-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID172561153
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Nametert-butyl 5-piperidin-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C=C(C2CCCNC2)CCC1
InChIInChI=1S/C15H26N2O2/c1-15(2,3)19-14(18)17-9-5-7-13(11-17)12-6-4-8-16-10-12/h11-12,16H,4-10H2,1-3H3
InChIKeyQSVBVBWJGQAHEX-UHFFFAOYSA-N
XLogP2.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(5-piperidin-3-yl-1H-pyrazol-3-yl)piperazine-1-carboxylate
CID 126817959
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CID 28818782
tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate
CID 96536723
tert-butyl 5-pyrrolidin-1-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 58101280
tert-butyl 3-phenylpyrrolidine-1-carboxylate;ethane;3-phenylpyrrolidine
CID 158730195
tert-butyl (3S)-3-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
CID 97298298
tert-butyl 4-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241648
tert-butyl 8-pyrrolidin-3-yl-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
CID 131866227
tert-butyl 3-oxo-4-[(3S)-piperidin-3-yl]piperazine-1-carboxylate
CID 97300286
tert-butyl 4-piperidin-3-yl-1,4-diazepane-1-carboxylate
CID 82564765
tert-butyl 3-piperidin-3-yloxypyrrolidine-1-carboxylate
CID 126844367
tert-butyl 3-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241492

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-piperidin-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-piperidin-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 172561153) is tert-butyl 5-piperidin-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-piperidin-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-piperidin-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1C=C(C2CCCNC2)CCC1.
What is the InChIKey of tert-butyl 5-piperidin-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is QSVBVBWJGQAHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(2,3)19-14(18)17-9-5-7-13(11-17)12-6-4-8-16-10-12/h11-12,16H,4-10H2,1-3H3.
What are the key properties of tert-butyl 5-piperidin-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 5-piperidin-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 266.38 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-piperidin-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 172561153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).