1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine

C155H270N12 — CID 167669383

IUPAC1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine
SMILESCC(C#CC(C)(C)C)N1CCCCC1.CC(C)(C)C#CCN1CCC2(CC2)C1.CC(C)(C)C#CCN1CCC2CC2C1.CC(C)(C)C#CCN1CCCCC1.CC1CCCCN1CC#CC(C)(C)C.CC1CCCN(CC#CC(C)(C)C)C1.C[C@@H](C#CC(C)(C)C)N1CCCCC1.C[C@@H]1CCCCN1CC#CC(C)(C)C.C[C@@H]1CCCN(CC#CC(C)(C)C)C1.C[C@H](C#CC(C)(C)C)N1CCCCC1.C[C@H]1CCCCN1CC#CC(C)(C)C.C[C@H]1CCCN(CC#CC(C)(C)C)C1
InChIInChI=1S/2C13H21N.9C13H23N.C12H21N/c1-13(2,3)6-4-7-14-8-5-11-9-12(11)10-14;1-12(2,3)5-4-9-14-10-8-13(11-14)6-7-13;3*1-12-7-5-9-14(11-12)10-6-8-13(2,3)4;3*1-12-8-5-6-10-14(12)11-7-9-13(2,3)4;3*1-12(8-9-13(2,3)4)14-10-6-5-7-11-14;1-12(2,3)8-7-11-13-9-5-4-6-10-13/h11-12H,5,7-10H2,1-3H3;6-11H2,1-3H3;3*12H,5,7,9-11H2,1-4H3;3*12H,5-6,8,10-11H2,1-4H3;3*12H,5-7,10-11H2,1-4H3;4-6,9-11H2,1-3H3/t;;2*12-;;2*12-;;2*12-;;/m..10.10.10../s1
InChIKeyTWLOTMSDGGQCSA-OVQZXXAFSA-N
MW2301.95 g/mol
LogP33.19
Rot. Bonds12

About 1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine

1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine (PubChem CID 167669383) has the molecular formula C155H270N12 and a molecular weight of 2301.95 g/mol. Its IUPAC name is 1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine.

Molecular Properties

Compound Name1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine
PubChem CID167669383
Molecular FormulaC155H270N12
Molecular Weight2301.95 g/mol
Exact Mass2300.15
IUPAC Name1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine
SMILESCC(C#CC(C)(C)C)N1CCCCC1.CC(C)(C)C#CCN1CCC2(CC2)C1.CC(C)(C)C#CCN1CCC2CC2C1.CC(C)(C)C#CCN1CCCCC1.CC1CCCCN1CC#CC(C)(C)C.CC1CCCN(CC#CC(C)(C)C)C1.C[C@@H](C#CC(C)(C)C)N1CCCCC1.C[C@@H]1CCCCN1CC#CC(C)(C)C.C[C@@H]1CCCN(CC#CC(C)(C)C)C1.C[C@H](C#CC(C)(C)C)N1CCCCC1.C[C@H]1CCCCN1CC#CC(C)(C)C.C[C@H]1CCCN(CC#CC(C)(C)C)C1
InChIInChI=1S/2C13H21N.9C13H23N.C12H21N/c1-13(2,3)6-4-7-14-8-5-11-9-12(11)10-14;1-12(2,3)5-4-9-14-10-8-13(11-14)6-7-13;3*1-12-7-5-9-14(11-12)10-6-8-13(2,3)4;3*1-12-8-5-6-10-14(12)11-7-9-13(2,3)4;3*1-12(8-9-13(2,3)4)14-10-6-5-7-11-14;1-12(2,3)8-7-11-13-9-5-4-6-10-13/h11-12H,5,7-10H2,1-3H3;6-11H2,1-3H3;3*12H,5,7,9-11H2,1-4H3;3*12H,5-6,8,10-11H2,1-4H3;3*12H,5-7,10-11H2,1-4H3;4-6,9-11H2,1-3H3/t;;2*12-;;2*12-;;2*12-;;/m..10.10.10../s1
InChIKeyTWLOTMSDGGQCSA-OVQZXXAFSA-N
XLogP33.19
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms167
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002301.95
LogP ≤ 533.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine?
The IUPAC name of 1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine (CID 167669383) is 1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine.
What is the SMILES notation for 1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine?
The canonical SMILES for 1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine is CC(C#CC(C)(C)C)N1CCCCC1.CC(C)(C)C#CCN1CCC2(CC2)C1.CC(C)(C)C#CCN1CCC2CC2C1.CC(C)(C)C#CCN1CCCCC1.CC1CCCCN1CC#CC(C)(C)C.CC1CCCN(CC#CC(C)(C)C)C1.C[C@@H](C#CC(C)(C)C)N1CCCCC1.C[C@@H]1CCCCN1CC#CC(C)(C)C.C[C@@H]1CCCN(CC#CC(C)(C)C)C1.C[C@H](C#CC(C)(C)C)N1CCCCC1.C[C@H]1CCCCN1CC#CC(C)(C)C.C[C@H]1CCCN(CC#CC(C)(C)C)C1.
What is the InChIKey of 1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine?
The InChIKey is TWLOTMSDGGQCSA-OVQZXXAFSA-N. The full InChI is InChI=1S/2C13H21N.9C13H23N.C12H21N/c1-13(2,3)6-4-7-14-8-5-11-9-12(11)10-14;1-12(2,3)5-4-9-14-10-8-13(11-14)6-7-13;3*1-12-7-5-9-14(11-12)10-6-8-13(2,3)4;3*1-12-8-5-6-10-14(12)11-7-9-13(2,3)4;3*1-12(8-9-13(2,3)4)14-10-6-5-7-11-14;1-12(2,3)8-7-11-13-9-5-4-6-10-13/h11-12H,5,7-10H2,1-3H3;6-11H2,1-3H3;3*12H,5,7,9-11H2,1-4H3;3*12H,5-6,8,10-11H2,1-4H3;3*12H,5-7,10-11H2,1-4H3;4-6,9-11H2,1-3H3/t;;2*12-;;2*12-;;2*12-;;/m..10.10.10../s1.
What are the key properties of 1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine?
1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine has a molecular weight of 2301.95 g/mol, XLogP of 33.19, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine is sourced from PubChem (CID 167669383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).