6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane

C16H31N3 — CID 134505377

IUPAC6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESCC(C)N1CCC(C)(CN2CC3(CN(C)C3)C2)CC1
InChIInChI=1S/C16H31N3/c1-14(2)19-7-5-15(3,6-8-19)9-18-12-16(13-18)10-17(4)11-16/h14H,5-13H2,1-4H3
InChIKeyMHXVJLRAVAZKIM-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.74
Rot. Bonds3

About 6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane

6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane (PubChem CID 134505377) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
PubChem CID134505377
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESCC(C)N1CCC(C)(CN2CC3(CN(C)C3)C2)CC1
InChIInChI=1S/C16H31N3/c1-14(2)19-7-5-15(3,6-8-19)9-18-12-16(13-18)10-17(4)11-16/h14H,5-13H2,1-4H3
InChIKeyMHXVJLRAVAZKIM-UHFFFAOYSA-N
XLogP1.74
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane (CID 134505377) is 6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane is CC(C)N1CCC(C)(CN2CC3(CN(C)C3)C2)CC1.
What is the InChIKey of 6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The InChIKey is MHXVJLRAVAZKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14(2)19-7-5-15(3,6-8-19)9-18-12-16(13-18)10-17(4)11-16/h14H,5-13H2,1-4H3.
What are the key properties of 6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 265.44 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 134505377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).