6-[(2R,6R)-1-ethyl-2,6-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane

C17H33N3 — CID 166168989

IUPAC6-[(2R,6R)-1-ethyl-2,6-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane
SMILESCCN1[C@H](C)CC(N2CC3(CN(C(C)C)C3)C2)C[C@H]1C
InChIInChI=1S/C17H33N3/c1-6-20-14(4)7-16(8-15(20)5)19-11-17(12-19)9-18(10-17)13(2)3/h13-16H,6-12H2,1-5H3/t14-,15-/m1/s1
InChIKeyHFEPRCGKNJSOOF-HUUCEWRRSA-N
MW279.47 g/mol
LogP2.27
Rot. Bonds3

About 6-[(2R,6R)-1-ethyl-2,6-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane

6-[(2R,6R)-1-ethyl-2,6-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane (PubChem CID 166168989) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 6-[(2R,6R)-1-ethyl-2,6-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[(2R,6R)-1-ethyl-2,6-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane
PubChem CID166168989
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name6-[(2R,6R)-1-ethyl-2,6-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane
SMILESCCN1[C@H](C)CC(N2CC3(CN(C(C)C)C3)C2)C[C@H]1C
InChIInChI=1S/C17H33N3/c1-6-20-14(4)7-16(8-15(20)5)19-11-17(12-19)9-18(10-17)13(2)3/h13-16H,6-12H2,1-5H3/t14-,15-/m1/s1
InChIKeyHFEPRCGKNJSOOF-HUUCEWRRSA-N
XLogP2.27
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane
CID 20781150
1-[(2S,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-4-propan-2-ylpiperazine
CID 166864352
2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane
CID 157227822
2-propan-2-yl-2-azaspiro[3.4]octane
CID 118357245
7-propan-2-yl-2-(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)-2,7-diazaspiro[3.4]octane
CID 167417671
6-(3-methyl-1-propan-2-ylpiperidin-4-yl)-2-propan-2-yl-2,6-diazaspiro[3.3]heptane
CID 177247626
1-ethyl-2,6-dimethylpiperidin-4-amine
CID 54320908
2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 167417706
2-[(2S)-1-ethyl-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
CID 142389432
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
7-propan-2-yl-2-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane
CID 155218609
2-propan-2-yl-7-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane
CID 167417537

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,6R)-1-ethyl-2,6-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 6-[(2R,6R)-1-ethyl-2,6-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane (CID 166168989) is 6-[(2R,6R)-1-ethyl-2,6-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 6-[(2R,6R)-1-ethyl-2,6-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 6-[(2R,6R)-1-ethyl-2,6-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane is CCN1[C@H](C)CC(N2CC3(CN(C(C)C)C3)C2)C[C@H]1C.
What is the InChIKey of 6-[(2R,6R)-1-ethyl-2,6-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane?
The InChIKey is HFEPRCGKNJSOOF-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H33N3/c1-6-20-14(4)7-16(8-15(20)5)19-11-17(12-19)9-18(10-17)13(2)3/h13-16H,6-12H2,1-5H3/t14-,15-/m1/s1.
What are the key properties of 6-[(2R,6R)-1-ethyl-2,6-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane?
6-[(2R,6R)-1-ethyl-2,6-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane has a molecular weight of 279.47 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,6R)-1-ethyl-2,6-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 166168989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).