1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-(3,3-dimethylpiperazin-1-yl)methanone

C17H30N2O — CID 120983111

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-(3,3-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CN(C(=O)C2CCCC3CCCCC32)CCN1
InChIInChI=1S/C17H30N2O/c1-17(2)12-19(11-10-18-17)16(20)15-9-5-7-13-6-3-4-8-14(13)15/h13-15,18H,3-12H2,1-2H3
InChIKeyIVHPQOLUBUWDGU-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.80
Rot. Bonds1

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-(3,3-dimethylpiperazin-1-yl)methanone

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-(3,3-dimethylpiperazin-1-yl)methanone (PubChem CID 120983111) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-(3,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-(3,3-dimethylpiperazin-1-yl)methanone
PubChem CID120983111
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-(3,3-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CN(C(=O)C2CCCC3CCCCC32)CCN1
InChIInChI=1S/C17H30N2O/c1-17(2)12-19(11-10-18-17)16(20)15-9-5-7-13-6-3-4-8-14(13)15/h13-15,18H,3-12H2,1-2H3
InChIKeyIVHPQOLUBUWDGU-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-(3,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-(3,3-dimethylpiperazin-1-yl)methanone (CID 120983111) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-(3,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-(3,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-(3,3-dimethylpiperazin-1-yl)methanone is CC1(C)CN(C(=O)C2CCCC3CCCCC32)CCN1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-(3,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is IVHPQOLUBUWDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-17(2)12-19(11-10-18-17)16(20)15-9-5-7-13-6-3-4-8-14(13)15/h13-15,18H,3-12H2,1-2H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-(3,3-dimethylpiperazin-1-yl)methanone?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-(3,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 278.44 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-(3,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 120983111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).