tert-butyl (2R)-2-[(3S)-1,2,3,6-tetrahydropyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C15H24N2O2 — CID 11832298

IUPACtert-butyl (2R)-2-[(3S)-1,2,3,6-tetrahydropyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=CC[C@@H]1[C@H]1C=CCNC1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-10-5-4-8-13(17)12-7-6-9-16-11-12/h4-7,12-13,16H,8-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyPARKQLFCTUJOFX-QWHCGFSZSA-N
MW264.37 g/mol
LogP2.33
Rot. Bonds1

About tert-butyl (2R)-2-[(3S)-1,2,3,6-tetrahydropyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl (2R)-2-[(3S)-1,2,3,6-tetrahydropyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 11832298) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(3S)-1,2,3,6-tetrahydropyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(3S)-1,2,3,6-tetrahydropyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID11832298
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl (2R)-2-[(3S)-1,2,3,6-tetrahydropyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=CC[C@@H]1[C@H]1C=CCNC1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-10-5-4-8-13(17)12-7-6-9-16-11-12/h4-7,12-13,16H,8-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyPARKQLFCTUJOFX-QWHCGFSZSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 10881335
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tert-butyl N-(5-methyl-2,3,3a,4,5,7a-hexahydro-1H-isoindol-4-yl)carbamate
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tert-butyl N-(2,3,3a,4,5,7a-hexahydro-1H-isoindol-4-yl)carbamate
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tert-butyl N-[(E)-2,8-dimethylnon-5-en-4-yl]carbamate
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Tert-butyl N-[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]carbamate
CID 21109983
tert-butyl N-[(E,4S)-2,8-dimethylnon-5-en-4-yl]carbamate
CID 22848989
ethyl 3-methyl-2-pyrrolidin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 53935384
ethyl 2-pyrrolidin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 53970892

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(3S)-1,2,3,6-tetrahydropyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(3S)-1,2,3,6-tetrahydropyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 11832298) is tert-butyl (2R)-2-[(3S)-1,2,3,6-tetrahydropyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(3S)-1,2,3,6-tetrahydropyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(3S)-1,2,3,6-tetrahydropyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=CC[C@@H]1[C@H]1C=CCNC1.
What is the InChIKey of tert-butyl (2R)-2-[(3S)-1,2,3,6-tetrahydropyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is PARKQLFCTUJOFX-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-10-5-4-8-13(17)12-7-6-9-16-11-12/h4-7,12-13,16H,8-11H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of tert-butyl (2R)-2-[(3S)-1,2,3,6-tetrahydropyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl (2R)-2-[(3S)-1,2,3,6-tetrahydropyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 264.37 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(3S)-1,2,3,6-tetrahydropyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 11832298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).