2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one

C14H28N2O — CID 60818218

IUPAC2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
SMILESCCCCC(CC)C(=O)N1CCC(NC)CC1
InChIInChI=1S/C14H28N2O/c1-4-6-7-12(5-2)14(17)16-10-8-13(15-3)9-11-16/h12-13,15H,4-11H2,1-3H3
InChIKeyVTTFPVTXVIXXSC-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.41
Rot. Bonds6

About 2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one

2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one (PubChem CID 60818218) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
PubChem CID60818218
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
SMILESCCCCC(CC)C(=O)N1CCC(NC)CC1
InChIInChI=1S/C14H28N2O/c1-4-6-7-12(5-2)14(17)16-10-8-13(15-3)9-11-16/h12-13,15H,4-11H2,1-3H3
InChIKeyVTTFPVTXVIXXSC-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one
CID 43417122
2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one
CID 114498212
1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one
CID 145133773
1-(3-bromopyrrolidin-1-yl)-2-ethylhexan-1-one
CID 80677700
[1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide
CID 56786895
2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one
CID 63106212
N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 55962161
2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one
CID 119562388
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one
CID 114960563
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one
CID 114802168
(2R)-1-(4-benzylpiperidin-1-yl)-2-ethylhexan-1-one
CID 40537850
(2S)-1-(4-benzylpiperidin-1-yl)-2-ethylhexan-1-one
CID 40537907

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one?
The IUPAC name of 2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one (CID 60818218) is 2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one.
What is the SMILES notation for 2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one?
The canonical SMILES for 2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one is CCCCC(CC)C(=O)N1CCC(NC)CC1.
What is the InChIKey of 2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one?
The InChIKey is VTTFPVTXVIXXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-6-7-12(5-2)14(17)16-10-8-13(15-3)9-11-16/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one?
2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 60818218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).