2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cycloheptan-1-one

C15H29N3O — CID 62885728

IUPAC2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cycloheptan-1-one
SMILESCN(C)CCN1CCN(C2CCCCCC2=O)CC1
InChIInChI=1S/C15H29N3O/c1-16(2)8-9-17-10-12-18(13-11-17)14-6-4-3-5-7-15(14)19/h14H,3-13H2,1-2H3
InChIKeyFZXIMALFDYLJQN-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.07
Rot. Bonds4

About 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cycloheptan-1-one

2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cycloheptan-1-one (PubChem CID 62885728) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cycloheptan-1-one.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cycloheptan-1-one
PubChem CID62885728
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cycloheptan-1-one
SMILESCN(C)CCN1CCN(C2CCCCCC2=O)CC1
InChIInChI=1S/C15H29N3O/c1-16(2)8-9-17-10-12-18(13-11-17)14-6-4-3-5-7-15(14)19/h14H,3-13H2,1-2H3
InChIKeyFZXIMALFDYLJQN-UHFFFAOYSA-N
XLogP1.07
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cycloheptan-1-one?
The IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cycloheptan-1-one (CID 62885728) is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cycloheptan-1-one.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cycloheptan-1-one?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cycloheptan-1-one is CN(C)CCN1CCN(C2CCCCCC2=O)CC1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cycloheptan-1-one?
The InChIKey is FZXIMALFDYLJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-16(2)8-9-17-10-12-18(13-11-17)14-6-4-3-5-7-15(14)19/h14H,3-13H2,1-2H3.
What are the key properties of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cycloheptan-1-one?
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cycloheptan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cycloheptan-1-one is sourced from PubChem (CID 62885728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).