5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one

C14H28N2O — CID 119564039

IUPAC5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
SMILESCNC1CCN(C(=O)CCCC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-14(2,3)9-5-6-13(17)16-10-7-12(15-4)8-11-16/h12,15H,5-11H2,1-4H3
InChIKeyFBAXIZGUNUAGHW-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.41
Rot. Bonds4

About 5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one

5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one (PubChem CID 119564039) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
PubChem CID119564039
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
SMILESCNC1CCN(C(=O)CCCC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-14(2,3)9-5-6-13(17)16-10-7-12(15-4)8-11-16/h12,15H,5-11H2,1-4H3
InChIKeyFBAXIZGUNUAGHW-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818219
1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-6,6-dimethylheptan-1-one
CID 146549601
1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one
CID 119648376
1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride
CID 119520948
4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one
CID 70915057
4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119562078
5,5-dimethyl-1-[4-(3-methylbut-1-ynyl)piperidin-1-yl]hexan-1-one
CID 167387201
3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 60818049
1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one
CID 126654356
1-(1,4-diazepan-1-yl)-5,5-dimethylhexan-1-one
CID 119418751
7,7-dimethyl-1-(4-methylpiperazin-1-yl)octan-1-one
CID 138647099
1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one
CID 110935763

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one?
The IUPAC name of 5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one (CID 119564039) is 5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one.
What is the SMILES notation for 5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one?
The canonical SMILES for 5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one is CNC1CCN(C(=O)CCCC(C)(C)C)CC1.
What is the InChIKey of 5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one?
The InChIKey is FBAXIZGUNUAGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2,3)9-5-6-13(17)16-10-7-12(15-4)8-11-16/h12,15H,5-11H2,1-4H3.
What are the key properties of 5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one?
5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 119564039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).